4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol

C13H22O2 — CID 163891433

IUPAC4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol
SMILESOCCCCCCCC1=CC=C(O)CC1
InChIInChI=1S/C13H22O2/c14-11-5-3-1-2-4-6-12-7-9-13(15)10-8-12/h7,9,14-15H,1-6,8,10-11H2
InChIKeyQBWKBUNPJUHTQL-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.48
Rot. Bonds7

About 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol

4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol (PubChem CID 163891433) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol
PubChem CID163891433
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol
SMILESOCCCCCCCC1=CC=C(O)CC1
InChIInChI=1S/C13H22O2/c14-11-5-3-1-2-4-6-12-7-9-13(15)10-8-12/h7,9,14-15H,1-6,8,10-11H2
InChIKeyQBWKBUNPJUHTQL-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohex-1-en-1-yl)ethan-1-ol
CID 227351
11E,13-Tetradecadien-1-ol
CID 5362662
9,11-Dodecadien-1-ol
CID 5365562
9Z,11-Dodecadien-1-ol
CID 13067158
(E,7S)-3-methyltetradec-2-en-7-ol
CID 163046073
1-Cyclohexene-1-propanol
CID 12396301
11,13-Tetradecadien-1-ol, (Z)
CID 87161297
1-(Cyclohexen-1-yl)propan-2-ol
CID 12622751
3-Cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 10909632
4-(4-Methylpent-3-enyl)cyclohex-3-en-1-ol
CID 11074002
(z,e)-9,11,13-Tetradecatrien-1-ol
CID 14522038
(e)-8,10-Undecadien-1-ol
CID 20240622

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol (CID 163891433) is 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol is OCCCCCCCC1=CC=C(O)CC1.
What is the InChIKey of 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is QBWKBUNPJUHTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-11-5-3-1-2-4-6-12-7-9-13(15)10-8-12/h7,9,14-15H,1-6,8,10-11H2.
What are the key properties of 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol?
4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 210.32 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxyheptyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163891433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).