(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol

C16H32O — CID 88968566

IUPAC(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol
SMILESCCC(C)C(C)(C)C/C=C(\C)C(C)(C)CCO
InChIInChI=1S/C16H32O/c1-8-13(2)15(4,5)10-9-14(3)16(6,7)11-12-17/h9,13,17H,8,10-12H2,1-7H3/b14-9+
InChIKeyIWXACQPBUXFDCY-NTEUORMPSA-N
MW240.43 g/mol
LogP4.80
Rot. Bonds7

About (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol

(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol (PubChem CID 88968566) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol.

Molecular Properties

Compound Name(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol
PubChem CID88968566
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol
SMILESCCC(C)C(C)(C)C/C=C(\C)C(C)(C)CCO
InChIInChI=1S/C16H32O/c1-8-13(2)15(4,5)10-9-14(3)16(6,7)11-12-17/h9,13,17H,8,10-12H2,1-7H3/b14-9+
InChIKeyIWXACQPBUXFDCY-NTEUORMPSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.80
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 (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol?
The IUPAC name of (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol (CID 88968566) is (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol.
What is the SMILES notation for (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol?
The canonical SMILES for (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol is CCC(C)C(C)(C)C/C=C(\C)C(C)(C)CCO.
What is the InChIKey of (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol?
The InChIKey is IWXACQPBUXFDCY-NTEUORMPSA-N. The full InChI is InChI=1S/C16H32O/c1-8-13(2)15(4,5)10-9-14(3)16(6,7)11-12-17/h9,13,17H,8,10-12H2,1-7H3/b14-9+.
What are the key properties of (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol?
(E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol has a molecular weight of 240.43 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,4,7,7,8-hexamethyldec-4-en-1-ol is sourced from PubChem (CID 88968566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).