(1S)-2-propan-2-ylidenecyclobutan-1-ol

C7H12O — CID 100962891

IUPAC(1S)-2-propan-2-ylidenecyclobutan-1-ol
SMILESCC(C)=C1CC[C@@H]1O
InChIInChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h7-8H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyBQZWMFBYGUWDLL-ZETCQYMHSA-N
MW112.17 g/mol
LogP1.48
Rot. Bonds

About (1S)-2-propan-2-ylidenecyclobutan-1-ol

(1S)-2-propan-2-ylidenecyclobutan-1-ol (PubChem CID 100962891) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (1S)-2-propan-2-ylidenecyclobutan-1-ol.

Molecular Properties

Compound Name(1S)-2-propan-2-ylidenecyclobutan-1-ol
PubChem CID100962891
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(1S)-2-propan-2-ylidenecyclobutan-1-ol
SMILESCC(C)=C1CC[C@@H]1O
InChIInChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h7-8H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyBQZWMFBYGUWDLL-ZETCQYMHSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1,2-dimethyl-3-propan-2-ylidenecyclopentane
CID 58465362
1-methyl-2-propan-2-ylidenecyclopentane
CID 57092492
2-benzhydrylidenecyclobutan-1-ol
CID 46210193
(1S,2S,3R)-2-(hydroxymethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexan-1-ol
CID 139038734
2-(2-methyl-5-propan-2-ylidenecyclopentyl)propan-2-ol
CID 118389145
cis-(1S,2R)-2-methyl-5-propan-2-ylidenecyclopentane-1-carbaldehyde
CID 131076653
(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid
CID 130705836
4-propan-2-ylidenecyclohexan-1-ol
CID 572084
(1R,2Z)-2-ethylidenecyclobutan-1-ol
CID 174038570
1-(2-propan-2-ylidenecyclopentyl)ethanone
CID 102250451
(1R,4aS,8R,8aS)-3,8-dimethyl-5-propan-2-ylidene-2,4a,6,7,8,8a-hexahydro-1H-naphthalen-1-ol
CID 91750172
1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane
CID 123265470

Frequently Asked Questions

What is the IUPAC name of (1S)-2-propan-2-ylidenecyclobutan-1-ol?
The IUPAC name of (1S)-2-propan-2-ylidenecyclobutan-1-ol (CID 100962891) is (1S)-2-propan-2-ylidenecyclobutan-1-ol.
What is the SMILES notation for (1S)-2-propan-2-ylidenecyclobutan-1-ol?
The canonical SMILES for (1S)-2-propan-2-ylidenecyclobutan-1-ol is CC(C)=C1CC[C@@H]1O.
What is the InChIKey of (1S)-2-propan-2-ylidenecyclobutan-1-ol?
The InChIKey is BQZWMFBYGUWDLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O/c1-5(2)6-3-4-7(6)8/h7-8H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-2-propan-2-ylidenecyclobutan-1-ol?
(1S)-2-propan-2-ylidenecyclobutan-1-ol has a molecular weight of 112.17 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-propan-2-ylidenecyclobutan-1-ol is sourced from PubChem (CID 100962891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).