1-(oxolan-2-yl)heptan-2-ol

C11H22O2 — CID 62606693

IUPAC1-(oxolan-2-yl)heptan-2-ol
SMILESCCCCCC(O)CC1CCCO1
InChIInChI=1S/C11H22O2/c1-2-3-4-6-10(12)9-11-7-5-8-13-11/h10-12H,2-9H2,1H3
InChIKeyQTCTUXUCAULPAL-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.50
Rot. Bonds6

About 1-(oxolan-2-yl)heptan-2-ol

1-(oxolan-2-yl)heptan-2-ol (PubChem CID 62606693) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)heptan-2-ol.

Molecular Properties

Compound Name1-(oxolan-2-yl)heptan-2-ol
PubChem CID62606693
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-(oxolan-2-yl)heptan-2-ol
SMILESCCCCCC(O)CC1CCCO1
InChIInChI=1S/C11H22O2/c1-2-3-4-6-10(12)9-11-7-5-8-13-11/h10-12H,2-9H2,1H3
InChIKeyQTCTUXUCAULPAL-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(oxolan-2-yl)heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071
4-(oxolan-2-ylmethyl)hexadecan-5-ol
CID 171637766
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
(6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one
CID 11367886
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
CID 114474030
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)heptan-2-ol?
The IUPAC name of 1-(oxolan-2-yl)heptan-2-ol (CID 62606693) is 1-(oxolan-2-yl)heptan-2-ol.
What is the SMILES notation for 1-(oxolan-2-yl)heptan-2-ol?
The canonical SMILES for 1-(oxolan-2-yl)heptan-2-ol is CCCCCC(O)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)heptan-2-ol?
The InChIKey is QTCTUXUCAULPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-6-10(12)9-11-7-5-8-13-11/h10-12H,2-9H2,1H3.
What are the key properties of 1-(oxolan-2-yl)heptan-2-ol?
1-(oxolan-2-yl)heptan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)heptan-2-ol is sourced from PubChem (CID 62606693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).