8-methylidenespiro[4.5]decane-1,4-diol

C11H18O2 — CID 141073739

IUPAC8-methylidenespiro[4.5]decane-1,4-diol
SMILESC=C1CCC2(CC1)C(O)CCC2O
InChIInChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(12)2-3-10(11)13/h9-10,12-13H,1-7H2
InChIKeyDEPGSCNRKAWFGI-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.62
Rot. Bonds

About 8-methylidenespiro[4.5]decane-1,4-diol

8-methylidenespiro[4.5]decane-1,4-diol (PubChem CID 141073739) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-methylidenespiro[4.5]decane-1,4-diol.

Molecular Properties

Compound Name8-methylidenespiro[4.5]decane-1,4-diol
PubChem CID141073739
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-methylidenespiro[4.5]decane-1,4-diol
SMILESC=C1CCC2(CC1)C(O)CCC2O
InChIInChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(12)2-3-10(11)13/h9-10,12-13H,1-7H2
InChIKeyDEPGSCNRKAWFGI-UHFFFAOYSA-N
XLogP1.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.62
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

2-Allyl-2-methylcyclopentane-1,3-diol
CID 130122188
(1R,2S,4R)-2-[(1R)-1-hydroxypropyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-ol
CID 139125528
(1S)-2,2-bis(2-methylprop-2-enyl)cyclopentan-1-ol
CID 138633945
(1S)-2,2-dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol
CID 138633999
Spiro[4.5]decane-1,4-diol
CID 141042153
2,2-Dimethyl-5,5-bis(2-methylprop-2-enyl)cyclopentan-1-ol
CID 154630568
3-Methylidenespiro[4.4]nonane-1,4,9-triol
CID 164579757
8-(Hydroxymethyl)spiro[4.5]dec-8-ene-1,4-diol
CID 171798128
trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol
CID 175100984
(1S,3R,4S)-2,2-dimethyl-4-prop-1-en-2-ylcyclopentane-1,3-diol
CID 10464738
cis-(1R,2R)-2-(hydroxymethyl)-2-(3-methylbut-3-enyl)cyclopentan-1-ol
CID 10535497
trans-(1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 10844877

Frequently Asked Questions

What is the IUPAC name of 8-methylidenespiro[4.5]decane-1,4-diol?
The IUPAC name of 8-methylidenespiro[4.5]decane-1,4-diol (CID 141073739) is 8-methylidenespiro[4.5]decane-1,4-diol.
What is the SMILES notation for 8-methylidenespiro[4.5]decane-1,4-diol?
The canonical SMILES for 8-methylidenespiro[4.5]decane-1,4-diol is C=C1CCC2(CC1)C(O)CCC2O.
What is the InChIKey of 8-methylidenespiro[4.5]decane-1,4-diol?
The InChIKey is DEPGSCNRKAWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-4-6-11(7-5-8)9(12)2-3-10(11)13/h9-10,12-13H,1-7H2.
What are the key properties of 8-methylidenespiro[4.5]decane-1,4-diol?
8-methylidenespiro[4.5]decane-1,4-diol has a molecular weight of 182.26 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidenespiro[4.5]decane-1,4-diol is sourced from PubChem (CID 141073739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).