2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol

C10H18O2 — CID 82412362

IUPAC2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
SMILESOC1CCOC2CCCCCC12
InChIInChI=1S/C10H18O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h8-11H,1-7H2
InChIKeySPLHHPWMXVHNDL-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.72
Rot. Bonds

About 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol

2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol (PubChem CID 82412362) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
PubChem CID82412362
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
SMILESOC1CCOC2CCCCCC12
InChIInChI=1S/C10H18O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h8-11H,1-7H2
InChIKeySPLHHPWMXVHNDL-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-ol
CID 96636936
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 21122216
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
CID 82418057
2-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol
CID 82406500
(4S,4aR,8aR)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 13328681
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
CID 23848053
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-cyclooctylcyclohexan-1-ol
CID 22359607
[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanol
CID 124676363
oxolane-2,3-diol
CID 14778197
(3S,3aR,9aR)-3-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[b]furan
CID 101159206
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
The IUPAC name of 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol (CID 82412362) is 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol.
What is the SMILES notation for 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
The canonical SMILES for 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol is OC1CCOC2CCCCCC12.
What is the InChIKey of 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
The InChIKey is SPLHHPWMXVHNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-9-6-7-12-10-5-3-1-2-4-8(9)10/h8-11H,1-7H2.
What are the key properties of 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol?
2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol has a molecular weight of 170.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyran-4-ol is sourced from PubChem (CID 82412362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).