3-methylidene-1-propan-2-ylcycloheptane-1,2-diol

C11H20O2 — CID 130152274

IUPAC3-methylidene-1-propan-2-ylcycloheptane-1,2-diol
SMILESC=C1CCCCC(O)(C(C)C)C1O
InChIInChI=1S/C11H20O2/c1-8(2)11(13)7-5-4-6-9(3)10(11)12/h8,10,12-13H,3-7H2,1-2H3
InChIKeyIOZALBWDVVFUTD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.86
Rot. Bonds1

About 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol

3-methylidene-1-propan-2-ylcycloheptane-1,2-diol (PubChem CID 130152274) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol.

Molecular Properties

Compound Name3-methylidene-1-propan-2-ylcycloheptane-1,2-diol
PubChem CID130152274
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methylidene-1-propan-2-ylcycloheptane-1,2-diol
SMILESC=C1CCCCC(O)(C(C)C)C1O
InChIInChI=1S/C11H20O2/c1-8(2)11(13)7-5-4-6-9(3)10(11)12/h8,10,12-13H,3-7H2,1-2H3
InChIKeyIOZALBWDVVFUTD-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.86
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

trans-(1S,2S)-1-propan-2-ylcyclopentane-1,2-diol
CID 130874578
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
CID 101417780
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
CID 102462779
(1S,4aS,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CID 71525072
2-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydronaphthalen-1-one
CID 74397074
2,2-difluoro-5-methylidenecyclopentan-1-ol
CID 134254646
(1S,2R,4aR,7R)-7-hydroperoxy-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2-diol
CID 102403243
(2R,4aS,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163193268
(1R,2R,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163013781
propan-2-yl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134966619
1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone
CID 140828874

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol?
The IUPAC name of 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol (CID 130152274) is 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol.
What is the SMILES notation for 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol?
The canonical SMILES for 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol is C=C1CCCCC(O)(C(C)C)C1O.
What is the InChIKey of 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol?
The InChIKey is IOZALBWDVVFUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)11(13)7-5-4-6-9(3)10(11)12/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol?
3-methylidene-1-propan-2-ylcycloheptane-1,2-diol has a molecular weight of 184.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-propan-2-ylcycloheptane-1,2-diol is sourced from PubChem (CID 130152274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).