1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol

C11H18O3 — CID 131227534

IUPAC1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(CC1=CCCC1)CC1OCCO1
InChIInChI=1S/C11H18O3/c12-10(7-9-3-1-2-4-9)8-11-13-5-6-14-11/h3,10-12H,1-2,4-8H2
InChIKeyVXZBKAVWVCXITG-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds4

About 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol

1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol (PubChem CID 131227534) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol
PubChem CID131227534
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(CC1=CCCC1)CC1OCCO1
InChIInChI=1S/C11H18O3/c12-10(7-9-3-1-2-4-9)8-11-13-5-6-14-11/h3,10-12H,1-2,4-8H2
InChIKeyVXZBKAVWVCXITG-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 14542125
trans-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776173
cis-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776221
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
CID 10585134
7-Methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
CID 10797572
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
(7E,11E)-14-(1,3-dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 20531398
[2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 14542126
[2-(2,6-Dimethylhepta-2,6-dienyl)-1,3-dioxolan-4-yl]methanol
CID 53816556
[2-(Heptadec-8-en-1-yl)-1,3-dioxolan-4-yl]methanol
CID 56617603
14-(1,3-Dioxolan-2-yl)-2-methyltetradeca-1,7,11-trien-4-ol
CID 70553534

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol (CID 131227534) is 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol is OC(CC1=CCCC1)CC1OCCO1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The InChIKey is VXZBKAVWVCXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10(7-9-3-1-2-4-9)8-11-13-5-6-14-11/h3,10-12H,1-2,4-8H2.
What are the key properties of 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3-(1,3-dioxolan-2-yl)propan-2-ol is sourced from PubChem (CID 131227534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).