(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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Related Compounds

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CID 92002
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CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
Geraniol hydrate
CID 10953994
(1R,2E,6S,8S,11E,14S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-14-ol
CID 11844490
(6E,10R,11S,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-10,11-diol
CID 21630021
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(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
(E,4R)-3,7-dimethyloct-2-ene-1,4,7-triol
CID 10607657
(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol
CID 10879194
(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10702711
(3S,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10773904

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).