3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol

C9H16O2 — CID 13328667

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol
SMILESOC1CCOC2CCCCC12
InChIInChI=1S/C9H16O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h7-10H,1-6H2
InChIKeyVSFYAFAAVATPMP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.33
Rot. Bonds

About 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol

3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol (PubChem CID 13328667) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol
PubChem CID13328667
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol
SMILESOC1CCOC2CCCCC12
InChIInChI=1S/C9H16O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h7-10H,1-6H2
InChIKeyVSFYAFAAVATPMP-UHFFFAOYSA-N
XLogP1.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxadecalin
CID 566114
3-Butyl-5-methyloxan-4-ol
CID 85799495
trans-2-Oxabicyclo[4.4.0]decane
CID 14065840
2-[Cyclohexyl(hydroxy)methyl]cyclohexan-1-ol
CID 72201247
3-Butyl-4-hydroxytetrahydropyran
CID 90995016
cis-3-Butyltetrahydro-2h-pyran-4-ol
CID 134159604
(2R,3S,4R,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
CID 163662810
(2R,3R,4R,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
CID 163662811
(2R,3R,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
CID 163662812
(2R,3R,4R,5R,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
CID 163662813
(2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
CID 163662825
(2R,3S,4R,5R,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
CID 163662826

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol (CID 13328667) is 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol is OC1CCOC2CCCCC12.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol?
The InChIKey is VSFYAFAAVATPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h7-10H,1-6H2.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol?
3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol has a molecular weight of 156.22 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-ol is sourced from PubChem (CID 13328667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).