3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane

C108H234 — CID 157472860

IUPAC3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane
SMILESCCC(C)CCC(C)C(C)CC.CCC(C)CCCC(C)C(C)C.CCC(C)CCCC(C)C(C)C.CCC(C)CCCC(CC)CC.CCC(C)CCCC(CC)CC.CCC(C)CCCC(CC)CC.CCC(CC)CCC(C)C(C)C.CCC(CCCC(C)C)C(C)C.CCCC(C)CCCC(C)CC
InChIInChI=1S/9C12H26/c2*1-6-11(4)8-7-9-12(5)10(2)3;1-6-12(11(4)5)9-7-8-10(2)3;1-6-10(3)8-9-12(5)11(4)7-2;1-6-12(7-2)9-8-11(5)10(3)4;1-5-8-12(4)10-7-9-11(3)6-2;3*1-5-11(4)9-8-10-12(6-2)7-3/h5*10-12H,6-9H2,1-5H3;4*11-12H,5-10H2,1-4H3
InChIKeyBVGBIWXKSYNIHV-UHFFFAOYSA-N
MW1533.06 g/mol
LogP41.03
Rot. Bonds58

About 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane

3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane (PubChem CID 157472860) has the molecular formula C108H234 and a molecular weight of 1533.06 g/mol. Its IUPAC name is 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane.

Molecular Properties

Compound Name3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane
PubChem CID157472860
Molecular FormulaC108H234
Molecular Weight1533.06 g/mol
Exact Mass1531.83
IUPAC Name3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane
SMILESCCC(C)CCC(C)C(C)CC.CCC(C)CCCC(C)C(C)C.CCC(C)CCCC(C)C(C)C.CCC(C)CCCC(CC)CC.CCC(C)CCCC(CC)CC.CCC(C)CCCC(CC)CC.CCC(CC)CCC(C)C(C)C.CCC(CCCC(C)C)C(C)C.CCCC(C)CCCC(C)CC
InChIInChI=1S/9C12H26/c2*1-6-11(4)8-7-9-12(5)10(2)3;1-6-12(11(4)5)9-7-8-10(2)3;1-6-10(3)8-9-12(5)11(4)7-2;1-6-12(7-2)9-8-11(5)10(3)4;1-5-8-12(4)10-7-9-11(3)6-2;3*1-5-11(4)9-8-10-12(6-2)7-3/h5*10-12H,6-9H2,1-5H3;4*11-12H,5-10H2,1-4H3
InChIKeyBVGBIWXKSYNIHV-UHFFFAOYSA-N
XLogP41.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds58
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001533.06
LogP ≤ 541.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane with MolForge

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Related Compounds

6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane;3,7,11-trimethyltridecane
CID 158279904
6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane
CID 158613904
14-ethyl-2,6,7,10-tetramethylhexadecane
CID 159635838
2,3,6,10,14,15-hexamethylhexadecane;bis(2,3,7,11,15-pentamethylheptadecane);2,4,8,12,16-pentamethylheptadecane;2,6,7,10,14-pentamethylheptadecane;2,6,10,10,14-pentamethylheptadecane;2,6,10,14,15-pentamethylheptadecane;3,7,8,11,15-pentamethylheptadecane;3,7,11,15-tetramethylheptadecane
CID 159136982
6,10-diethyl-2-methyldodecane;bis(3-ethyl-7,11-dimethyltridecane);7-ethyl-3,11-dimethyltridecane;6-ethyl-2,10,10-trimethyldodecane;bis(2,3,7,11-tetramethyltridecane);3,7,7,11-tetramethyltridecane;3,7,11-trimethyltetradecane
CID 160568203
5-ethyl-2,8-dimethyl-15-propan-2-yloctadecane
CID 139911730
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
6-ethyl-3,4,9-trimethyldodecane
CID 91130584
3-ethyl-4,8-dimethyldecane
CID 57491716
3-ethyl-6,11-dimethyltridecane
CID 123237146
3-ethyl-7-methylnonane
CID 526426
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane?
The IUPAC name of 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane (CID 157472860) is 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane.
What is the SMILES notation for 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane?
The canonical SMILES for 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane is CCC(C)CCC(C)C(C)CC.CCC(C)CCCC(C)C(C)C.CCC(C)CCCC(C)C(C)C.CCC(C)CCCC(CC)CC.CCC(C)CCCC(CC)CC.CCC(C)CCCC(CC)CC.CCC(CC)CCC(C)C(C)C.CCC(CCCC(C)C)C(C)C.CCCC(C)CCCC(C)CC.
What is the InChIKey of 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane?
The InChIKey is BVGBIWXKSYNIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/9C12H26/c2*1-6-11(4)8-7-9-12(5)10(2)3;1-6-12(11(4)5)9-7-8-10(2)3;1-6-10(3)8-9-12(5)11(4)7-2;1-6-12(7-2)9-8-11(5)10(3)4;1-5-8-12(4)10-7-9-11(3)6-2;3*1-5-11(4)9-8-10-12(6-2)7-3/h5*10-12H,6-9H2,1-5H3;4*11-12H,5-10H2,1-4H3.
What are the key properties of 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane?
3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane has a molecular weight of 1533.06 g/mol, XLogP of 41.03, 58 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldecane;3-ethyl-2,7-dimethyloctane;6-ethyl-2,3-dimethyloctane;tris(3-ethyl-7-methylnonane);bis(2,3,7-trimethylnonane);3,4,7-trimethylnonane is sourced from PubChem (CID 157472860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).