(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol

C17H32O — CID 46189708

IUPAC(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
SMILESCCCC[C@@H](/C=C(\C)C[C@H](/C=C/CO)CC)CC
InChIInChI=1S/C17H32O/c1-5-8-10-16(6-2)13-15(4)14-17(7-3)11-9-12-18/h9,11,13,16-18H,5-8,10,12,14H2,1-4H3/b11-9+,15-13+/t16-,17-/m0/s1
InChIKeyRBCUAQBDWIZQHY-ZUOPTHLSSA-N
MW252.44 g/mol
LogP5.11
Rot. Bonds10

About (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol

(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol (PubChem CID 46189708) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
PubChem CID46189708
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol
SMILESCCCC[C@@H](/C=C(\C)C[C@H](/C=C/CO)CC)CC
InChIInChI=1S/C17H32O/c1-5-8-10-16(6-2)13-15(4)14-17(7-3)11-9-12-18/h9,11,13,16-18H,5-8,10,12,14H2,1-4H3/b11-9+,15-13+/t16-,17-/m0/s1
InChIKeyRBCUAQBDWIZQHY-ZUOPTHLSSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol?
The IUPAC name of (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol (CID 46189708) is (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol.
What is the SMILES notation for (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol?
The canonical SMILES for (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol is CCCC[C@@H](/C=C(\C)C[C@H](/C=C/CO)CC)CC.
What is the InChIKey of (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol?
The InChIKey is RBCUAQBDWIZQHY-ZUOPTHLSSA-N. The full InChI is InChI=1S/C17H32O/c1-5-8-10-16(6-2)13-15(4)14-17(7-3)11-9-12-18/h9,11,13,16-18H,5-8,10,12,14H2,1-4H3/b11-9+,15-13+/t16-,17-/m0/s1.
What are the key properties of (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol?
(2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,6E,8S)-4,8-diethyl-6-methyldodeca-2,6-dien-1-ol is sourced from PubChem (CID 46189708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).