(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol

C11H18O2 — CID 14983107

IUPAC(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
SMILESCCC1CC=C(/C=C/CCO)OC1
InChIInChI=1S/C11H18O2/c1-2-10-6-7-11(13-9-10)5-3-4-8-12/h3,5,7,10,12H,2,4,6,8-9H2,1H3/b5-3+
InChIKeyHPKDWPSYXLFVFF-HWKANZROSA-N
MW182.26 g/mol
LogP2.26
Rot. Bonds4

About (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol

(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol (PubChem CID 14983107) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
PubChem CID14983107
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol
SMILESCCC1CC=C(/C=C/CCO)OC1
InChIInChI=1S/C11H18O2/c1-2-10-6-7-11(13-9-10)5-3-4-8-12/h3,5,7,10,12H,2,4,6,8-9H2,1H3/b5-3+
InChIKeyHPKDWPSYXLFVFF-HWKANZROSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-4-methoxy-phenol
CID 129714813
1-Methoxyphenethyl alcohol
CID 141314987
2-[(Z)-[(2E)-2-ethylidene-4,4-dimethyloxan-3-ylidene]methyl]prop-2-en-1-ol
CID 144087433
6-Ethyl-3-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxycyclohexa-2,4-dien-1-ol
CID 68381664
6-Ethyl-3-fluoro-4-methoxycyclohexa-2,4-dien-1-ol
CID 89269461
6-(2-Fluoro-2-methylbutoxy)-3-methylocta-5,7-dien-2-ol
CID 91173322
1-(6-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
CID 163789143
1-[4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
CID 163893644
2-(2,3-Dimethylcyclohexa-1,5-dien-1-yl)oxyethanol
CID 163581048
1-[4-(Hydroxymethyl)cyclohexa-1,5-dien-1-yl]oxypropan-2-ol
CID 163631919
(e)-4-(3',4',1-Trimethoxyphenyl)but-3-en-1-ol
CID 129864217
(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
CID 131241498

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol?
The IUPAC name of (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol (CID 14983107) is (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol is CCC1CC=C(/C=C/CCO)OC1.
What is the InChIKey of (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol?
The InChIKey is HPKDWPSYXLFVFF-HWKANZROSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-10-6-7-11(13-9-10)5-3-4-8-12/h3,5,7,10,12H,2,4,6,8-9H2,1H3/b5-3+.
What are the key properties of (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol?
(E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-ethyl-3,4-dihydro-2H-pyran-6-yl)but-3-en-1-ol is sourced from PubChem (CID 14983107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).