(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene

C18H36 — CID 18601786

IUPAC(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene
SMILESC/C(CC(C)CC(C)C)=C(\C)CC(C)CC(C)C
InChIInChI=1S/C18H36/c1-13(2)9-15(5)11-17(7)18(8)12-16(6)10-14(3)4/h13-16H,9-12H2,1-8H3/b18-17-
InChIKeyGIXVZGOKWPUSGE-ZCXUNETKSA-N
MW252.49 g/mol
LogP6.47
Rot. Bonds8

About (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene

(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene (PubChem CID 18601786) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene.

Molecular Properties

Compound Name(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene
PubChem CID18601786
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene
SMILESC/C(CC(C)CC(C)C)=C(\C)CC(C)CC(C)C
InChIInChI=1S/C18H36/c1-13(2)9-15(5)11-17(7)18(8)12-16(6)10-14(3)4/h13-16H,9-12H2,1-8H3/b18-17-
InChIKeyGIXVZGOKWPUSGE-ZCXUNETKSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene?
The IUPAC name of (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene (CID 18601786) is (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene.
What is the SMILES notation for (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene?
The canonical SMILES for (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene is C/C(CC(C)CC(C)C)=C(\C)CC(C)CC(C)C.
What is the InChIKey of (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene?
The InChIKey is GIXVZGOKWPUSGE-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H36/c1-13(2)9-15(5)11-17(7)18(8)12-16(6)10-14(3)4/h13-16H,9-12H2,1-8H3/b18-17-.
What are the key properties of (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene?
(Z)-2,4,6,7,9,11-hexamethyldodec-6-ene has a molecular weight of 252.49 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,6,7,9,11-hexamethyldodec-6-ene is sourced from PubChem (CID 18601786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).