ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane

C31H68 — CID 142337955

IUPACethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
SMILESCC.CCC(CC)C(CC(C)C(C)C)C(C)C(C)C.CCCC(CC(C)CC)C(C)C
InChIInChI=1S/C17H36.C12H26.C2H6/c1-9-16(10-2)17(15(8)13(5)6)11-14(7)12(3)4;1-6-8-12(10(3)4)9-11(5)7-2;1-2/h12-17H,9-11H2,1-8H3;10-12H,6-9H2,1-5H3;1-2H3
InChIKeyFVCZPYNXSGETTI-UHFFFAOYSA-N
MW440.89 g/mol
LogP11.53
Rot. Bonds14

About ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane

ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane (PubChem CID 142337955) has the molecular formula C31H68 and a molecular weight of 440.89 g/mol. Its IUPAC name is ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane.

Molecular Properties

Compound Nameethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
PubChem CID142337955
Molecular FormulaC31H68
Molecular Weight440.89 g/mol
Exact Mass440.53
IUPAC Nameethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
SMILESCC.CCC(CC)C(CC(C)C(C)C)C(C)C(C)C.CCCC(CC(C)CC)C(C)C
InChIInChI=1S/C17H36.C12H26.C2H6/c1-9-16(10-2)17(15(8)13(5)6)11-14(7)12(3)4;1-6-8-12(10(3)4)9-11(5)7-2;1-2/h12-17H,9-11H2,1-8H3;10-12H,6-9H2,1-5H3;1-2H3
InChIKeyFVCZPYNXSGETTI-UHFFFAOYSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
CID 142520741
(5R)-2,3,5-trimethylheptane
CID 59882960
(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-2,3,5,7-tetramethylnonane
CID 123258187
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
4-ethyl-2,3,5,7-tetramethyldecane
CID 123162737
2,3,6,7-tetramethyl-5-propylnonane
CID 91235316
5-(difluoromethyl)-3-methyloctane
CID 154668237
2,3,4,7-tetramethyl-5-propyldecane
CID 91020847
8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
3,4-diethylheptane;ethane
CID 144734225

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane?
The IUPAC name of ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane (CID 142337955) is ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane.
What is the SMILES notation for ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane?
The canonical SMILES for ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane is CC.CCC(CC)C(CC(C)C(C)C)C(C)C(C)C.CCCC(CC(C)CC)C(C)C.
What is the InChIKey of ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane?
The InChIKey is FVCZPYNXSGETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.C12H26.C2H6/c1-9-16(10-2)17(15(8)13(5)6)11-14(7)12(3)4;1-6-8-12(10(3)4)9-11(5)7-2;1-2/h12-17H,9-11H2,1-8H3;10-12H,6-9H2,1-5H3;1-2H3.
What are the key properties of ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane?
ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane has a molecular weight of 440.89 g/mol, XLogP of 11.53, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane is sourced from PubChem (CID 142337955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).