(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol

C13H20O3 — CID 101140059

IUPAC(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
SMILESC=CC[C@@]1([C@@H](O)C=C)CCCC12OCCO2
InChIInChI=1S/C13H20O3/c1-3-6-12(11(14)4-2)7-5-8-13(12)15-9-10-16-13/h3-4,11,14H,1-2,5-10H2/t11-,12-/m0/s1
InChIKeyYWLYGVNVTKPLAX-RYUDHWBXSA-N
MW224.30 g/mol
LogP2.02
Rot. Bonds4

About (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol

(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol (PubChem CID 101140059) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
PubChem CID101140059
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
SMILESC=CC[C@@]1([C@@H](O)C=C)CCCC12OCCO2
InChIInChI=1S/C13H20O3/c1-3-6-12(11(14)4-2)7-5-8-13(12)15-9-10-16-13/h3-4,11,14H,1-2,5-10H2/t11-,12-/m0/s1
InChIKeyYWLYGVNVTKPLAX-RYUDHWBXSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol with MolForge

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Related Compounds

1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-one
CID 101140094
1-[2-(1-hydroxyprop-2-enyl)oxolan-2-yl]prop-2-en-1-ol
CID 66587599
1-(1-methylcyclopentyl)prop-2-en-1-ol
CID 115814911
(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
CID 130348395
2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enal
CID 89008866
1-[1-(1-hydroxyprop-2-enyl)cyclohexyl]prop-2-en-1-ol
CID 57165593
1-(1-butylcyclobutyl)prop-2-en-1-ol
CID 142645457
1,5-dimethyl-8-prop-2-enylbicyclo[3.2.1]octan-8-ol
CID 70541588
methyl 3-[(6S,7R)-7-ethenyl-6,7-dimethyl-1,4-dioxaspiro[4.5]decan-6-yl]propanoate
CID 10989690
(2-prop-2-enyloxan-2-yl)silane
CID 123453490
(3R)-5-[2-[(3S)-3-hydroxypent-4-enyl]-1,3-dioxolan-2-yl]pent-1-en-3-ol
CID 15314583
2-[(E)-but-2-enyl]-2-prop-2-enyl-1,3-dioxolane
CID 68856408

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol (CID 101140059) is (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol is C=CC[C@@]1([C@@H](O)C=C)CCCC12OCCO2.
What is the InChIKey of (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol?
The InChIKey is YWLYGVNVTKPLAX-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-6-12(11(14)4-2)7-5-8-13(12)15-9-10-16-13/h3-4,11,14H,1-2,5-10H2/t11-,12-/m0/s1.
What are the key properties of (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol?
(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol is sourced from PubChem (CID 101140059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).