2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol

C15H30O — CID 22937292

IUPAC2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol
SMILESCCCCCC1CCC(C(C)(C)CC)C1O
InChIInChI=1S/C15H30O/c1-5-7-8-9-12-10-11-13(14(12)16)15(3,4)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyGNTVIKDVPCBIKP-UHFFFAOYSA-N
MW226.40 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol

2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol (PubChem CID 22937292) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol
PubChem CID22937292
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol
SMILESCCCCCC1CCC(C(C)(C)CC)C1O
InChIInChI=1S/C15H30O/c1-5-7-8-9-12-10-11-13(14(12)16)15(3,4)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyGNTVIKDVPCBIKP-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.39
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

2-(4-methylpentyl)-5-pentylcyclopentan-1-ol
CID 22937327
(3R)-4-hexylcyclohexane-1,3-diol
CID 90224141
2-cyclohexyl-5-pentylcyclopentan-1-ol
CID 22937314
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
2-nonylcyclopentane-1,3-diol
CID 163304158
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616
4-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534220

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol (CID 22937292) is 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol is CCCCCC1CCC(C(C)(C)CC)C1O.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol?
The InChIKey is GNTVIKDVPCBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-7-8-9-12-10-11-13(14(12)16)15(3,4)6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol?
2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol has a molecular weight of 226.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-pentylcyclopentan-1-ol is sourced from PubChem (CID 22937292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).