(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol

C12H22O — CID 58545189

IUPAC(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol
SMILESC/C=C\C(C)(C)C/C=C/C(C)(C)O
InChIInChI=1S/C12H22O/c1-6-8-11(2,3)9-7-10-12(4,5)13/h6-8,10,13H,9H2,1-5H3/b8-6-,10-7+
InChIKeyRHFUJUPNBLKBNG-GOOBONSCSA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds4

About (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol

(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol (PubChem CID 58545189) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol
PubChem CID58545189
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol
SMILESC/C=C\C(C)(C)C/C=C/C(C)(C)O
InChIInChI=1S/C12H22O/c1-6-8-11(2,3)9-7-10-12(4,5)13/h6-8,10,13H,9H2,1-5H3/b8-6-,10-7+
InChIKeyRHFUJUPNBLKBNG-GOOBONSCSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
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 (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol?
The IUPAC name of (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol (CID 58545189) is (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol.
What is the SMILES notation for (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol?
The canonical SMILES for (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol is C/C=C\C(C)(C)C/C=C/C(C)(C)O.
What is the InChIKey of (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol?
The InChIKey is RHFUJUPNBLKBNG-GOOBONSCSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8-11(2,3)9-7-10-12(4,5)13/h6-8,10,13H,9H2,1-5H3/b8-6-,10-7+.
What are the key properties of (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol?
(3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-2,6,6-trimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 58545189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).