(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol

C13H20O3 — CID 10331222

IUPAC(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol
SMILESCC1=C(C/C=C/CO)CCC2(C1)OCCO2
InChIInChI=1S/C13H20O3/c1-11-10-13(15-8-9-16-13)6-5-12(11)4-2-3-7-14/h2-3,14H,4-10H2,1H3/b3-2+
InChIKeyVSNBRHKPVRPZOI-NSCUHMNNSA-N
MW224.30 g/mol
LogP2.17
Rot. Bonds3

About (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol

(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol (PubChem CID 10331222) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol
PubChem CID10331222
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol
SMILESCC1=C(C/C=C/CO)CCC2(C1)OCCO2
InChIInChI=1S/C13H20O3/c1-11-10-13(15-8-9-16-13)6-5-12(11)4-2-3-7-14/h2-3,14H,4-10H2,1H3/b3-2+
InChIKeyVSNBRHKPVRPZOI-NSCUHMNNSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 5467361
Ethanol, 2-(1,4-dioxaspiro[4.5]dec-8-ylidene)-
CID 10976162
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 11107412
(E,2S)-4-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 71814732
(E,3S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylideneoct-6-ene-1,3-diol
CID 134967770
(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-2-en-1-ol
CID 135038087
(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135042599
(3aR,4R,7S,7aS)-2,2,5-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 139125704
(2e,5s)-5-[(2r)-1,4-Dioxaspiro[4.5]dec-2-yl]-5(methoxymethoxy)pent-2-en-1-ol
CID 139210701
(E)-5-[5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 5906341
(E)-3-methyl-5-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 6364641
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584

Frequently Asked Questions

What is the IUPAC name of (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol?
The IUPAC name of (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol (CID 10331222) is (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol is CC1=C(C/C=C/CO)CCC2(C1)OCCO2.
What is the InChIKey of (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol?
The InChIKey is VSNBRHKPVRPZOI-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H20O3/c1-11-10-13(15-8-9-16-13)6-5-12(11)4-2-3-7-14/h2-3,14H,4-10H2,1H3/b3-2+.
What are the key properties of (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol?
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-2-en-1-ol is sourced from PubChem (CID 10331222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).