5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane

C24H48 — CID 91302157

IUPAC5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane
SMILESC=C(CC)C(C)C(C)CC(C(CC)CCC)C(CCC)CC(C)C
InChIInChI=1S/C24H48/c1-10-14-22(13-4)24(23(15-11-2)16-18(5)6)17-20(8)21(9)19(7)12-3/h18,20-24H,7,10-17H2,1-6,8-9H3
InChIKeyFIQFQHZYTJHPAX-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.52
Rot. Bonds14

About 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane

5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane (PubChem CID 91302157) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane.

Molecular Properties

Compound Name5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane
PubChem CID91302157
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane
SMILESC=C(CC)C(C)C(C)CC(C(CC)CCC)C(CCC)CC(C)C
InChIInChI=1S/C24H48/c1-10-14-22(13-4)24(23(15-11-2)16-18(5)6)17-20(8)21(9)19(7)12-3/h18,20-24H,7,10-17H2,1-6,8-9H3
InChIKeyFIQFQHZYTJHPAX-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.52
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

5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
2,4,6,7-tetramethyl-8-methylidenedecane
CID 91400797
2,5-dimethyl-4-propyloctane
CID 57491236
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
2,4-dimethyl-6-propylnonan-5-ol
CID 156689504
4,5-diethyloctane
CID 519254
3,4-diethylheptane-2-thiol
CID 174326540
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
2-methyl-4-propan-2-ylheptane
CID 21201044
4,5,6,7-tetraethyldecane
CID 101052128
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653

Frequently Asked Questions

What is the IUPAC name of 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane?
The IUPAC name of 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane (CID 91302157) is 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane.
What is the SMILES notation for 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane?
The canonical SMILES for 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane is C=C(CC)C(C)C(C)CC(C(CC)CCC)C(CCC)CC(C)C.
What is the InChIKey of 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane?
The InChIKey is FIQFQHZYTJHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-10-14-22(13-4)24(23(15-11-2)16-18(5)6)17-20(8)21(9)19(7)12-3/h18,20-24H,7,10-17H2,1-6,8-9H3.
What are the key properties of 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane?
5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane has a molecular weight of 336.65 g/mol, XLogP of 8.52, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-3-yl-2,7,8-trimethyl-9-methylidene-4-propylundecane is sourced from PubChem (CID 91302157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).