2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol

C8H14O2 — CID 130150685

IUPAC2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol
SMILESOC1CCC2CCCC12O
InChIInChI=1S/C8H14O2/c9-7-4-3-6-2-1-5-8(6,7)10/h6-7,9-10H,1-5H2
InChIKeyAVKSYAUUMDYUDO-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.67
Rot. Bonds

About 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol

2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol (PubChem CID 130150685) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol
PubChem CID130150685
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol
SMILESOC1CCC2CCCC12O
InChIInChI=1S/C8H14O2/c9-7-4-3-6-2-1-5-8(6,7)10/h6-7,9-10H,1-5H2
InChIKeyAVKSYAUUMDYUDO-UHFFFAOYSA-N
XLogP0.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13396648
(3S,3aS,6aR)-3-ethynyl-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-ol
CID 100969657
1-[(3aS,4R,5S,7aR)-5-chloro-3a-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-4-yl]ethanone
CID 134861051
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
1-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
4-(1-hydroxycyclopentyl)cycloheptan-1-ol
CID 173416259
cyclopentane-1,1,2-triol
CID 19830380
cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
CID 101090893
(3aR,7aS)-3-nitro-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 135037160
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
1,2,3,4,5,6,7,7a-octahydroisoindole-3a,4-diol
CID 141422735

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol?
The IUPAC name of 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol (CID 130150685) is 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol?
The canonical SMILES for 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol is OC1CCC2CCCC12O.
What is the InChIKey of 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol?
The InChIKey is AVKSYAUUMDYUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-4-3-6-2-1-5-8(6,7)10/h6-7,9-10H,1-5H2.
What are the key properties of 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol?
2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol has a molecular weight of 142.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydro-1H-pentalene-1,6a-diol is sourced from PubChem (CID 130150685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).