1-(4-bromocyclohex-3-en-1-yl)octan-1-ol

C14H25BrO — CID 70368815

IUPAC1-(4-bromocyclohex-3-en-1-yl)octan-1-ol
SMILESCCCCCCCC(O)C1CC=C(Br)CC1
InChIInChI=1S/C14H25BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h10,12,14,16H,2-9,11H2,1H3
InChIKeyBJEINIFHHNLAPB-UHFFFAOYSA-N
MW289.26 g/mol
LogP4.79
Rot. Bonds7

About 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol

1-(4-bromocyclohex-3-en-1-yl)octan-1-ol (PubChem CID 70368815) has the molecular formula C14H25BrO and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol.

Molecular Properties

Compound Name1-(4-bromocyclohex-3-en-1-yl)octan-1-ol
PubChem CID70368815
Molecular FormulaC14H25BrO
Molecular Weight289.26 g/mol
Exact Mass288.11
IUPAC Name1-(4-bromocyclohex-3-en-1-yl)octan-1-ol
SMILESCCCCCCCC(O)C1CC=C(Br)CC1
InChIInChI=1S/C14H25BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h10,12,14,16H,2-9,11H2,1H3
InChIKeyBJEINIFHHNLAPB-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 65410598
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CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-cyclooctylundecan-1-ol
CID 80603651
1-piperidin-4-ylundecan-1-ol
CID 80560155
1-cyclopropylpentan-1-ol
CID 551238
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
CID 115789478
1-(1,2,3,4-tetrahydroquinolin-2-yl)heptan-1-ol
CID 65041589
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol?
The IUPAC name of 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol (CID 70368815) is 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol.
What is the SMILES notation for 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol?
The canonical SMILES for 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol is CCCCCCCC(O)C1CC=C(Br)CC1.
What is the InChIKey of 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol?
The InChIKey is BJEINIFHHNLAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h10,12,14,16H,2-9,11H2,1H3.
What are the key properties of 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol?
1-(4-bromocyclohex-3-en-1-yl)octan-1-ol has a molecular weight of 289.26 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromocyclohex-3-en-1-yl)octan-1-ol is sourced from PubChem (CID 70368815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).