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

C10H16O2 — CID 15907913

IUPAC(3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol
SMILESC=C1COC2(CCCC2)C1CO
InChIInChI=1S/C10H16O2/c1-8-7-12-10(9(8)6-11)4-2-3-5-10/h9,11H,1-7H2
InChIKeyIGHDPVPOYYVQHA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds1

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

(3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol (PubChem CID 15907913) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol
PubChem CID15907913
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol
SMILESC=C1COC2(CCCC2)C1CO
InChIInChI=1S/C10H16O2/c1-8-7-12-10(9(8)6-11)4-2-3-5-10/h9,11H,1-7H2
InChIKeyIGHDPVPOYYVQHA-UHFFFAOYSA-N
XLogP1.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
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

(3R,5R)-1-[(2S,5S)-5-butyl-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
CID 58077700
(3R)-1-[(5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
CID 58077715
(3R)-1-[(2S,5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
CID 58077763
(3R,5R)-1-[(2S,5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
CID 58077819
1-[(5S)-5-butyl-3-methylideneoxolan-2-yl]-5,6-dimethylhept-6-en-3-ol
CID 89798562
3-(Methoxymethyl)-2-[2-(methoxymethyl)cyclopentyl]-4-methylideneoxolane
CID 123470169
3-Methyl-2-methylidene-7-(3-methylideneoxolan-2-yl)heptan-1-ol
CID 167099159
4-methyl-3,3a,5,6,7,8,9,10,11,12-decahydro-1H-cyclododeca[c]furan-4-ol
CID 173571126
(4-Methylidene-2-pentyloxolan-3-yl)methanol
CID 10559399
[(2R,3R)-4-methylidene-2-tridecyloxolan-3-yl]methanol
CID 10827809
(3-Methylidene-1-oxaspiro[4.5]decan-4-yl)methanol
CID 11367386
2-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]ethanol
CID 21772509

Frequently Asked Questions

What is the IUPAC name of (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol?
The IUPAC name of (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol (CID 15907913) is (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol.
What is the SMILES notation for (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol?
The canonical SMILES for (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol is C=C1COC2(CCCC2)C1CO.
What is the InChIKey of (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol?
The InChIKey is IGHDPVPOYYVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-7-12-10(9(8)6-11)4-2-3-5-10/h9,11H,1-7H2.
What are the key properties of (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol?
(3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-1-oxaspiro[4.4]nonan-4-yl)methanol is sourced from PubChem (CID 15907913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).