9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane

C22H46 — CID 123181000

IUPAC9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane
SMILESCCCC(CC)CC(CC(C)CCCC(C)CC)C(C)CC
InChIInChI=1S/C22H46/c1-8-13-21(11-4)17-22(20(7)10-3)16-19(6)15-12-14-18(5)9-2/h18-22H,8-17H2,1-7H3
InChIKeyCLKIYWDCNIDRJF-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.11
Rot. Bonds14

About 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane

9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane (PubChem CID 123181000) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane.

Molecular Properties

Compound Name9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane
PubChem CID123181000
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane
SMILESCCCC(CC)CC(CC(C)CCCC(C)CC)C(C)CC
InChIInChI=1S/C22H46/c1-8-13-21(11-4)17-22(20(7)10-3)16-19(6)15-12-14-18(5)9-2/h18-22H,8-17H2,1-7H3
InChIKeyCLKIYWDCNIDRJF-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
4-ethylheptane;3-methylheptane
CID 143099611
3-methyl-7-propylundecane
CID 123449834
11-ethyl-3-methyltetradecane
CID 123200411
3-ethyl-4,8-dimethyldecane
CID 57491716
14-butyl-8-ethyl-3,12,16,17-tetramethylicosane
CID 123942222
3-ethyl-7-methylnonane
CID 526426
5,11-diethyl-7-methylpentadecane
CID 174871265
(3R,7R)-3,7-dimethylnonane
CID 42626759
11-ethyl-2,5,7-trimethyltetradecane
CID 123549571
8-butan-2-yl-6-ethylpentadecane
CID 123398993
3,9,11-trimethyltetradecane
CID 158626683

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane?
The IUPAC name of 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane (CID 123181000) is 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane.
What is the SMILES notation for 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane?
The canonical SMILES for 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane is CCCC(CC)CC(CC(C)CCCC(C)CC)C(C)CC.
What is the InChIKey of 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane?
The InChIKey is CLKIYWDCNIDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-8-13-21(11-4)17-22(20(7)10-3)16-19(6)15-12-14-18(5)9-2/h18-22H,8-17H2,1-7H3.
What are the key properties of 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane?
9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane has a molecular weight of 310.61 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-11-ethyl-3,7-dimethyltetradecane is sourced from PubChem (CID 123181000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).