5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole

C16H27NO — CID 174949576

IUPAC5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole
SMILESCC(C)(O)CCCC1=CCCCC1.c1cc[nH]c1
InChIInChI=1S/C12H22O.C4H5N/c1-12(2,13)10-6-9-11-7-4-3-5-8-11;1-2-4-5-3-1/h7,13H,3-6,8-10H2,1-2H3;1-5H
InChIKeyJVTDGNQZXUETGC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.44
Rot. Bonds4

About 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole

5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole (PubChem CID 174949576) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole
PubChem CID174949576
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole
SMILESCC(C)(O)CCCC1=CCCCC1.c1cc[nH]c1
InChIInChI=1S/C12H22O.C4H5N/c1-12(2,13)10-6-9-11-7-4-3-5-8-11;1-2-4-5-3-1/h7,13H,3-6,8-10H2,1-2H3;1-5H
InChIKeyJVTDGNQZXUETGC-UHFFFAOYSA-N
XLogP4.44
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;bis(5-(cyclohexen-1-yl)-2-methylpentan-2-ol);(NE)-N-ethylidenehydroxylamine;methane
CID 172930075
1-butylcyclononene
CID 56981158
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
4-(cyclohexen-1-yl)butanamide
CID 165359181
1-hex-5-enylcyclohexene
CID 123683483
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
1-[2-[2-(cyclopenten-1-yl)ethyl]-2-methylbut-3-ynyl]cyclohexene
CID 141055427
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole?
The IUPAC name of 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole (CID 174949576) is 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole?
The canonical SMILES for 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole is CC(C)(O)CCCC1=CCCCC1.c1cc[nH]c1.
What is the InChIKey of 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole?
The InChIKey is JVTDGNQZXUETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C4H5N/c1-12(2,13)10-6-9-11-7-4-3-5-8-11;1-2-4-5-3-1/h7,13H,3-6,8-10H2,1-2H3;1-5H.
What are the key properties of 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole?
5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole has a molecular weight of 249.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-2-methylpentan-2-ol;1H-pyrrole is sourced from PubChem (CID 174949576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).