(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol

C12H18F2O — CID 145079834

IUPAC(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCCC
InChIInChI=1S/C12H18F2O/c1-5-6-7-8(2)9(3)11(13)12(14)10(4)15/h8,15H,3-7H2,1-2H3/b12-11-
InChIKeyDXHWIUCYAYKYRT-QXMHVHEDSA-N
MW216.27 g/mol
LogP4.59
Rot. Bonds6

About (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol

(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol (PubChem CID 145079834) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
PubChem CID145079834
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
SMILESC=C(O)/C(F)=C(/F)C(=C)C(C)CCCC
InChIInChI=1S/C12H18F2O/c1-5-6-7-8(2)9(3)11(13)12(14)10(4)15/h8,15H,3-7H2,1-2H3/b12-11-
InChIKeyDXHWIUCYAYKYRT-QXMHVHEDSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
The IUPAC name of (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol (CID 145079834) is (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
The canonical SMILES for (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol is C=C(O)/C(F)=C(/F)C(=C)C(C)CCCC.
What is the InChIKey of (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
The InChIKey is DXHWIUCYAYKYRT-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H18F2O/c1-5-6-7-8(2)9(3)11(13)12(14)10(4)15/h8,15H,3-7H2,1-2H3/b12-11-.
What are the key properties of (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol?
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol has a molecular weight of 216.27 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol is sourced from PubChem (CID 145079834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).