(1S,7R)-bicyclo[5.1.0]octane-1,7-diol

C8H14O2 — CID 102015528

IUPAC(1S,7R)-bicyclo[5.1.0]octane-1,7-diol
SMILESO[C@@]12CCCCC[C@]1(O)C2
InChIInChI=1S/C8H14O2/c9-7-4-2-1-3-5-8(7,10)6-7/h9-10H,1-6H2/t7-,8+
InChIKeyDDWGKNOATPTMFT-OCAPTIKFSA-N
MW142.20 g/mol
LogP0.82
Rot. Bonds

About (1S,7R)-bicyclo[5.1.0]octane-1,7-diol

(1S,7R)-bicyclo[5.1.0]octane-1,7-diol (PubChem CID 102015528) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S,7R)-bicyclo[5.1.0]octane-1,7-diol.

Molecular Properties

Compound Name(1S,7R)-bicyclo[5.1.0]octane-1,7-diol
PubChem CID102015528
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S,7R)-bicyclo[5.1.0]octane-1,7-diol
SMILESO[C@@]12CCCCC[C@]1(O)C2
InChIInChI=1S/C8H14O2/c9-7-4-2-1-3-5-8(7,10)6-7/h9-10H,1-6H2/t7-,8+
InChIKeyDDWGKNOATPTMFT-OCAPTIKFSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxycyclopentyl)cycloheptan-1-ol
CID 10081454
1-(1-methylcyclobutyl)cyclohexan-1-ol
CID 15391948
cyclononane-1,1-diol
CID 23151649
cyclopentadecane-1,1-diol
CID 90867480
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-(1-hydroxycycloheptyl)cyclopentane-1-carbonitrile
CID 79129448
spiro[5.5]undecane-2,2,4,4-tetrol
CID 140976072
cyclohexane-1,1-diol;methanol
CID 159463727
1-(2-cyclotricosyl-oxacyclotetracos-2-yl)cyclotricosan-1-ol
CID 173416726
1-[1-(hydroxymethyl)cyclopropyl]cyclopentan-1-ol
CID 165442160
1-ethylcyclohexan-1-ol;zinc
CID 10655352
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596

Frequently Asked Questions

What is the IUPAC name of (1S,7R)-bicyclo[5.1.0]octane-1,7-diol?
The IUPAC name of (1S,7R)-bicyclo[5.1.0]octane-1,7-diol (CID 102015528) is (1S,7R)-bicyclo[5.1.0]octane-1,7-diol.
What is the SMILES notation for (1S,7R)-bicyclo[5.1.0]octane-1,7-diol?
The canonical SMILES for (1S,7R)-bicyclo[5.1.0]octane-1,7-diol is O[C@@]12CCCCC[C@]1(O)C2.
What is the InChIKey of (1S,7R)-bicyclo[5.1.0]octane-1,7-diol?
The InChIKey is DDWGKNOATPTMFT-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H14O2/c9-7-4-2-1-3-5-8(7,10)6-7/h9-10H,1-6H2/t7-,8+.
What are the key properties of (1S,7R)-bicyclo[5.1.0]octane-1,7-diol?
(1S,7R)-bicyclo[5.1.0]octane-1,7-diol has a molecular weight of 142.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-bicyclo[5.1.0]octane-1,7-diol is sourced from PubChem (CID 102015528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).