(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol

C14H22O3 — CID 10911597

IUPAC(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@@]1(CC=C)CCCC12OCCO2
InChIInChI=1S/C14H22O3/c1-3-6-12(15)13(7-4-2)8-5-9-14(13)16-10-11-17-14/h3-4,12,15H,1-2,5-11H2/t12-,13-/m1/s1
InChIKeyINUCNRVBUZDNIB-CHWSQXEVSA-N
MW238.33 g/mol
LogP2.41
Rot. Bonds5

About (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol

(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol (PubChem CID 10911597) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol
PubChem CID10911597
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol
SMILESC=CC[C@@H](O)[C@@]1(CC=C)CCCC12OCCO2
InChIInChI=1S/C14H22O3/c1-3-6-12(15)13(7-4-2)8-5-9-14(13)16-10-11-17-14/h3-4,12,15H,1-2,5-11H2/t12-,13-/m1/s1
InChIKeyINUCNRVBUZDNIB-CHWSQXEVSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol?
The IUPAC name of (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol (CID 10911597) is (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol.
What is the SMILES notation for (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol?
The canonical SMILES for (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol is C=CC[C@@H](O)[C@@]1(CC=C)CCCC12OCCO2.
What is the InChIKey of (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol?
The InChIKey is INUCNRVBUZDNIB-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-6-12(15)13(7-4-2)8-5-9-14(13)16-10-11-17-14/h3-4,12,15H,1-2,5-11H2/t12-,13-/m1/s1.
What are the key properties of (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol?
(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol is sourced from PubChem (CID 10911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).