(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol

C12H21FO — CID 138375732

IUPAC(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol
SMILESCC(C)=CCCC(C)C/C(F)=C/CO
InChIInChI=1S/C12H21FO/c1-10(2)5-4-6-11(3)9-12(13)7-8-14/h5,7,11,14H,4,6,8-9H2,1-3H3/b12-7-
InChIKeyRUBQLBWHUMIGED-GHXNOFRVSA-N
MW200.30 g/mol
LogP3.60
Rot. Bonds6

About (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol

(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol (PubChem CID 138375732) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol.

Molecular Properties

Compound Name(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol
PubChem CID138375732
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol
SMILESCC(C)=CCCC(C)C/C(F)=C/CO
InChIInChI=1S/C12H21FO/c1-10(2)5-4-6-11(3)9-12(13)7-8-14/h5,7,11,14H,4,6,8-9H2,1-3H3/b12-7-
InChIKeyRUBQLBWHUMIGED-GHXNOFRVSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.60
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 (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol?
The IUPAC name of (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol (CID 138375732) is (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol.
What is the SMILES notation for (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol?
The canonical SMILES for (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol is CC(C)=CCCC(C)C/C(F)=C/CO.
What is the InChIKey of (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol?
The InChIKey is RUBQLBWHUMIGED-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H21FO/c1-10(2)5-4-6-11(3)9-12(13)7-8-14/h5,7,11,14H,4,6,8-9H2,1-3H3/b12-7-.
What are the key properties of (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol?
(2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol has a molecular weight of 200.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-5,9-dimethyldeca-2,8-dien-1-ol is sourced from PubChem (CID 138375732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).