3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol

C12H22O2 — CID 12836080

IUPAC3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol
SMILESCCCCC1=CC(CCCO)OCC1
InChIInChI=1S/C12H22O2/c1-2-3-5-11-7-9-14-12(10-11)6-4-8-13/h10,12-13H,2-9H2,1H3
InChIKeyFWZAFRIKZZQPPN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds6

About 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol

3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol (PubChem CID 12836080) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol
PubChem CID12836080
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol
SMILESCCCCC1=CC(CCCO)OCC1
InChIInChI=1S/C12H22O2/c1-2-3-5-11-7-9-14-12(10-11)6-4-8-13/h10,12-13H,2-9H2,1H3
InChIKeyFWZAFRIKZZQPPN-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
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 24950833
(3R)-5-(2,5-dihydrofuran-3-yl)-2-methylpent-1-en-3-ol
CID 162991143
(2S)-1-[(2S,3R)-3-[(E)-hex-1-enyl]oxiran-2-yl]heptan-2-ol
CID 15690750
[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol
CID 163515887
(E,2S)-4-[(2R,3R)-3-methyloxiran-2-yl]hept-3-en-2-ol
CID 10920949
(2S,4S)-4-[[(1R,2R,5R)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 10998670
(E,2S)-4-[(2S,3S)-3-methyloxiran-2-yl]hept-3-en-2-ol
CID 11137560
(2S,4S)-4-[[(1S,2S,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 15265974
(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
CID 16726220
(1S)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
CID 16726221
(1S,4R)-2-butylcyclohex-2-ene-1,4-diol
CID 44189717
(1R,4S)-2-butylcyclohex-2-ene-1,4-diol
CID 101474550

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol?
The IUPAC name of 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol (CID 12836080) is 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol.
What is the SMILES notation for 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol?
The canonical SMILES for 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol is CCCCC1=CC(CCCO)OCC1.
What is the InChIKey of 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol?
The InChIKey is FWZAFRIKZZQPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-5-11-7-9-14-12(10-11)6-4-8-13/h10,12-13H,2-9H2,1H3.
What are the key properties of 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol?
3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-3,6-dihydro-2H-pyran-6-yl)propan-1-ol is sourced from PubChem (CID 12836080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).