3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol

C14H26O — CID 10488678

IUPAC3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol
SMILESCCCCC1=C(C(C)CC)CCC1(C)O
InChIInChI=1S/C14H26O/c1-5-7-8-13-12(11(3)6-2)9-10-14(13,4)15/h11,15H,5-10H2,1-4H3
InChIKeyKYKPEAJXTNNKSS-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds5

About 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol

3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol (PubChem CID 10488678) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol
PubChem CID10488678
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol
SMILESCCCCC1=C(C(C)CC)CCC1(C)O
InChIInChI=1S/C14H26O/c1-5-7-8-13-12(11(3)6-2)9-10-14(13,4)15/h11,15H,5-10H2,1-4H3
InChIKeyKYKPEAJXTNNKSS-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Guaiol
CID 227829
1-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
CID 86752
Zingiberenol
CID 13213649
5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,5alpha,8alpha))-
CID 72607
2-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-ol
CID 521245
2-[(1S,7aR)-1,6,6-trimethyl-1,2,3,5,7,7a-hexahydroinden-4-yl]propan-2-ol
CID 11074989
Zingiberenol, trans-
CID 71813357
2-[(5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
CID 6708805
2-[(8R,8aS)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulen-5-yl]propan-2-ol
CID 51041637
(1R,4R,7R)-7-Isopropyl-2-(1-hydroxy-1-methylethyl)-5-methylbicyclo[2.2.2]octa-2,5-diene
CID 25108316
cis-4-(1,5-Dimethyl-4-hexen-1-yl)-1-methyl-2-cyclohexen-1-ol
CID 13213650
2-[(8S,8aS)-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazulen-5-yl]propan-2-ol
CID 11770005

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol?
The IUPAC name of 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol (CID 10488678) is 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol.
What is the SMILES notation for 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol?
The canonical SMILES for 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol is CCCCC1=C(C(C)CC)CCC1(C)O.
What is the InChIKey of 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol?
The InChIKey is KYKPEAJXTNNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-7-8-13-12(11(3)6-2)9-10-14(13,4)15/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol?
3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol has a molecular weight of 210.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-butyl-1-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 10488678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).