(4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol

C11H18O2 — CID 74318499

IUPAC(4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol
SMILESC=CC1C(CO)COC12CCCC2
InChIInChI=1S/C11H18O2/c1-2-10-9(7-12)8-13-11(10)5-3-4-6-11/h2,9-10,12H,1,3-8H2
InChIKeyBCTYVXVNKHOXHG-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.74
Rot. Bonds2

About (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol

(4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol (PubChem CID 74318499) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol
PubChem CID74318499
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol
SMILESC=CC1C(CO)COC12CCCC2
InChIInChI=1S/C11H18O2/c1-2-10-9(7-12)8-13-11(10)5-3-4-6-11/h2,9-10,12H,1,3-8H2
InChIKeyBCTYVXVNKHOXHG-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-Hydroxycyclopentyl)but-3-enyl]cyclopentan-1-ol
CID 86176853
[(2R,3R,4R)-4-ethenyl-2-(2-methylpropyl)oxolan-3-yl]methanol
CID 134961063
(2S)-2-[(3R)-5,5-dimethyloxolan-3-yl]pent-4-en-2-ol
CID 59911112
(2R)-1-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]butan-2-ol
CID 121338916
(2S)-3-[(2R,3R,4R,5S)-4-ethyl-3-methyl-5-prop-2-enyloxolan-2-yl]propane-1,2-diol
CID 121338921
(2R)-2-[(2S,5S)-5-but-3-enyloxolan-2-yl]pent-4-en-1-ol
CID 144766175
Ethane;4-[3-(4-ethenyloxolan-2-yl)-2,5-dimethyl-5-(3-methyl-3-propoxybutoxy)hexan-2-yl]oxy-2-methylbutan-2-ol;3-methylbutane-1,3-diol;propane
CID 162444117
(3-Methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol
CID 15907913
[(3R,4R)-4-ethenyl-1-oxaspiro[4.4]nonan-3-yl]methanol
CID 24799245
1-(Oxolan-3-yl)hex-5-en-1-ol
CID 65330729
1-(Oxolan-3-yl)pent-4-en-1-ol
CID 65330730
2-[5,5-Bis(prop-2-enyl)oxolan-2-yl]ethanol
CID 85926917

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol?
The IUPAC name of (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol (CID 74318499) is (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol.
What is the SMILES notation for (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol?
The canonical SMILES for (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol is C=CC1C(CO)COC12CCCC2.
What is the InChIKey of (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol?
The InChIKey is BCTYVXVNKHOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-10-9(7-12)8-13-11(10)5-3-4-6-11/h2,9-10,12H,1,3-8H2.
What are the key properties of (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol?
(4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol has a molecular weight of 182.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-1-oxaspiro[4.4]nonan-3-yl)methanol is sourced from PubChem (CID 74318499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).