3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane

C23H46 — CID 123816270

IUPAC3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane
SMILESCCC=C(C(C)C(CC)C(C)C)C(CCC)C(C)(CC)CCC
InChIInChI=1S/C23H46/c1-10-15-21(19(8)20(13-4)18(6)7)22(16-11-2)23(9,14-5)17-12-3/h15,18-20,22H,10-14,16-17H2,1-9H3
InChIKeyNNXNOMMSLFTIPM-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.27
Rot. Bonds12

About 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane

3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane (PubChem CID 123816270) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane.

Molecular Properties

Compound Name3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane
PubChem CID123816270
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane
SMILESCCC=C(C(C)C(CC)C(C)C)C(CCC)C(C)(CC)CCC
InChIInChI=1S/C23H46/c1-10-15-21(19(8)20(13-4)18(6)7)22(16-11-2)23(9,14-5)17-12-3/h15,18-20,22H,10-14,16-17H2,1-9H3
InChIKeyNNXNOMMSLFTIPM-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
3-methyl-3-propylhexan-2-ol
CID 20501676
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
(E)-4-(1,1-difluoropropan-2-yl)-5,7,7,8,8-pentamethylundec-3-ene
CID 167169464
3-methyl-3-propylhexane-2-thiol
CID 123142515
(3S)-4-ethyl-4-methylheptan-3-amine
CID 163621922
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
6-ethyl-2,6,7-trimethyldecane
CID 123269799
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane?
The IUPAC name of 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane (CID 123816270) is 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane.
What is the SMILES notation for 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane?
The canonical SMILES for 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane is CCC=C(C(C)C(CC)C(C)C)C(CCC)C(C)(CC)CCC.
What is the InChIKey of 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane?
The InChIKey is NNXNOMMSLFTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-10-15-21(19(8)20(13-4)18(6)7)22(16-11-2)23(9,14-5)17-12-3/h15,18-20,22H,10-14,16-17H2,1-9H3.
What are the key properties of 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane?
3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane has a molecular weight of 322.62 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-2,4,7-trimethyl-6-propyl-5-propylidenedecane is sourced from PubChem (CID 123816270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).