(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol

C14H25BrO — CID 11822357

IUPAC(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
SMILESC/C(=C\CCBr)CC/C=C(\C)CCCCO
InChIInChI=1S/C14H25BrO/c1-13(7-3-4-12-16)8-5-9-14(2)10-6-11-15/h8,10,16H,3-7,9,11-12H2,1-2H3/b13-8+,14-10+
InChIKeyCDVUXZUPOVQQMT-WCKMZMOMSA-N
MW289.26 g/mol
LogP4.61
Rot. Bonds9

About (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol

(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol (PubChem CID 11822357) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol.

Molecular Properties

Compound Name(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
PubChem CID11822357
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
SMILESC/C(=C\CCBr)CC/C=C(\C)CCCCO
InChIInChI=1S/C14H25BrO/c1-13(7-3-4-12-16)8-5-9-14(2)10-6-11-15/h8,10,16H,3-7,9,11-12H2,1-2H3/b13-8+,14-10+
InChIKeyCDVUXZUPOVQQMT-WCKMZMOMSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 134895349
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CID 162298741
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
5-bromo-2-methylpent-2-en-1-ol
CID 54337181
(E)-5-bromo-2-methylpent-2-en-1-ol
CID 15258521
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(E)-1-bromo-5-methylicos-4-ene
CID 172556960
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol
CID 141464305
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol?
The IUPAC name of (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol (CID 11822357) is (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol.
What is the SMILES notation for (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol?
The canonical SMILES for (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol is C/C(=C\CCBr)CC/C=C(\C)CCCCO.
What is the InChIKey of (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol?
The InChIKey is CDVUXZUPOVQQMT-WCKMZMOMSA-N. The full InChI is InChI=1S/C14H25BrO/c1-13(7-3-4-12-16)8-5-9-14(2)10-6-11-15/h8,10,16H,3-7,9,11-12H2,1-2H3/b13-8+,14-10+.
What are the key properties of (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol?
(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol has a molecular weight of 289.26 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol is sourced from PubChem (CID 11822357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).