[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol

C9H16O2 — CID 94036836

IUPAC[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol
SMILESCC(C)=C1C[C@@H](CO)[C@H]1CO
InChIInChI=1S/C9H16O2/c1-6(2)8-3-7(4-10)9(8)5-11/h7,9-11H,3-5H2,1-2H3/t7-,9+/m0/s1
InChIKeyGUOUPFBCAQNXID-IONNQARKSA-N
MW156.23 g/mol
LogP0.94
Rot. Bonds2

About [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol

[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol (PubChem CID 94036836) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol
PubChem CID94036836
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol
SMILESCC(C)=C1C[C@@H](CO)[C@H]1CO
InChIInChI=1S/C9H16O2/c1-6(2)8-3-7(4-10)9(8)5-11/h7,9-11H,3-5H2,1-2H3/t7-,9+/m0/s1
InChIKeyGUOUPFBCAQNXID-IONNQARKSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-ethyl-6,6-dimethyl-4-propan-2-ylidenebicyclo[3.1.0]hexane
CID 91412281
2-but-2-enyl-1-propan-2-ylidene-3-prop-1-enylcyclobutane
CID 123735481
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450
[(1S,2R)-2-(2-methylprop-1-enyl)cyclopropyl]methanol
CID 118546656
3-(cyclopropylmethyl)-4-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 118454198
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(2-propa-1,2-dienylcyclopropyl)methanol
CID 123155641
[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 67908983
[(1S,2R)-2-(hydroxymethyl)-4-oxocyclopentyl]methyl acetate
CID 11412792
[(1R,2S)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol
CID 52920879
cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one
CID 66739674

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol?
The IUPAC name of [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol (CID 94036836) is [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol?
The canonical SMILES for [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol is CC(C)=C1C[C@@H](CO)[C@H]1CO.
What is the InChIKey of [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol?
The InChIKey is GUOUPFBCAQNXID-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)8-3-7(4-10)9(8)5-11/h7,9-11H,3-5H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol?
[(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol has a molecular weight of 156.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(hydroxymethyl)-3-propan-2-ylidenecyclobutyl]methanol is sourced from PubChem (CID 94036836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).