(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol

C10H18O2 — CID 131751871

IUPAC(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol
SMILESC/C(=C/CO)C1CCC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-8(5-7-11)9-4-6-10(2,3)12-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-
InChIKeyMCCVCDVTCCDPLO-YVMONPNESA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol

(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol (PubChem CID 131751871) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol
PubChem CID131751871
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol
SMILESC/C(=C/CO)C1CCC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-8(5-7-11)9-4-6-10(2,3)12-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-
InChIKeyMCCVCDVTCCDPLO-YVMONPNESA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol?
The IUPAC name of (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol (CID 131751871) is (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol is C/C(=C/CO)C1CCC(C)(C)O1.
What is the InChIKey of (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol?
The InChIKey is MCCVCDVTCCDPLO-YVMONPNESA-N. The full InChI is InChI=1S/C10H18O2/c1-8(5-7-11)9-4-6-10(2,3)12-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol?
(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol is sourced from PubChem (CID 131751871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).