2,4,8-trimethylnona-3,7-dien-2-ol

C12H22O — CID 53422863

IUPAC2,4,8-trimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCCC(C)=CC(C)(C)O
InChIInChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3
InChIKeyBPIALUCKEZWHIF-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.45
Rot. Bonds4

About 2,4,8-trimethylnona-3,7-dien-2-ol

2,4,8-trimethylnona-3,7-dien-2-ol (PubChem CID 53422863) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,4,8-trimethylnona-3,7-dien-2-ol.

Molecular Properties

Compound Name2,4,8-trimethylnona-3,7-dien-2-ol
PubChem CID53422863
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,4,8-trimethylnona-3,7-dien-2-ol
SMILESCC(C)=CCCC(C)=CC(C)(C)O
InChIInChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3
InChIKeyBPIALUCKEZWHIF-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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 2,4,8-trimethylnona-3,7-dien-2-ol?
The IUPAC name of 2,4,8-trimethylnona-3,7-dien-2-ol (CID 53422863) is 2,4,8-trimethylnona-3,7-dien-2-ol.
What is the SMILES notation for 2,4,8-trimethylnona-3,7-dien-2-ol?
The canonical SMILES for 2,4,8-trimethylnona-3,7-dien-2-ol is CC(C)=CCCC(C)=CC(C)(C)O.
What is the InChIKey of 2,4,8-trimethylnona-3,7-dien-2-ol?
The InChIKey is BPIALUCKEZWHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-10(2)7-6-8-11(3)9-12(4,5)13/h7,9,13H,6,8H2,1-5H3.
What are the key properties of 2,4,8-trimethylnona-3,7-dien-2-ol?
2,4,8-trimethylnona-3,7-dien-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethylnona-3,7-dien-2-ol is sourced from PubChem (CID 53422863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).