9-ethyl-3,8-dimethyl-4-propyldodecane

C19H40 — CID 142338103

IUPAC9-ethyl-3,8-dimethyl-4-propyldodecane
SMILESCCCC(CC)C(C)CCCC(CCC)C(C)CC
InChIInChI=1S/C19H40/c1-7-12-18(10-4)17(6)14-11-15-19(13-8-2)16(5)9-3/h16-19H,7-15H2,1-6H3
InChIKeyRFAAEWIZNBDHOP-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.08
Rot. Bonds12

About 9-ethyl-3,8-dimethyl-4-propyldodecane

9-ethyl-3,8-dimethyl-4-propyldodecane (PubChem CID 142338103) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 9-ethyl-3,8-dimethyl-4-propyldodecane.

Molecular Properties

Compound Name9-ethyl-3,8-dimethyl-4-propyldodecane
PubChem CID142338103
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name9-ethyl-3,8-dimethyl-4-propyldodecane
SMILESCCCC(CC)C(C)CCCC(CCC)C(C)CC
InChIInChI=1S/C19H40/c1-7-12-18(10-4)17(6)14-11-15-19(13-8-2)16(5)9-3/h16-19H,7-15H2,1-6H3
InChIKeyRFAAEWIZNBDHOP-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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8-ethyl-7-methylhexadecane
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4,5-diethylnonane
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4,5-diethyloctane
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6-ethyl-2,5-dimethylnonane
CID 54499682
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
3-ethyl-4,8-dimethyldecane
CID 57491716
8-butan-2-yl-4-methyltetradecane
CID 123224994
4-ethyl-3-methylheptan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,8-dimethyl-4-propyldodecane?
The IUPAC name of 9-ethyl-3,8-dimethyl-4-propyldodecane (CID 142338103) is 9-ethyl-3,8-dimethyl-4-propyldodecane.
What is the SMILES notation for 9-ethyl-3,8-dimethyl-4-propyldodecane?
The canonical SMILES for 9-ethyl-3,8-dimethyl-4-propyldodecane is CCCC(CC)C(C)CCCC(CCC)C(C)CC.
What is the InChIKey of 9-ethyl-3,8-dimethyl-4-propyldodecane?
The InChIKey is RFAAEWIZNBDHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-7-12-18(10-4)17(6)14-11-15-19(13-8-2)16(5)9-3/h16-19H,7-15H2,1-6H3.
What are the key properties of 9-ethyl-3,8-dimethyl-4-propyldodecane?
9-ethyl-3,8-dimethyl-4-propyldodecane has a molecular weight of 268.53 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,8-dimethyl-4-propyldodecane is sourced from PubChem (CID 142338103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).