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

C15H24O3 — CID 11791680

IUPAC(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol
SMILESC=CCC[C@H](O)[C@@]1(CC=C)CCCC12OCCO2
InChIInChI=1S/C15H24O3/c1-3-5-7-13(16)14(8-4-2)9-6-10-15(14)17-11-12-18-15/h3-4,13,16H,1-2,5-12H2/t13-,14+/m0/s1
InChIKeyAPEIPRSXHKHLOU-UONOGXRCSA-N
MW252.35 g/mol
LogP2.80
Rot. Bonds6

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

(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol (PubChem CID 11791680) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol
PubChem CID11791680
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol
SMILESC=CCC[C@H](O)[C@@]1(CC=C)CCCC12OCCO2
InChIInChI=1S/C15H24O3/c1-3-5-7-13(16)14(8-4-2)9-6-10-15(14)17-11-12-18-15/h3-4,13,16H,1-2,5-12H2/t13-,14+/m0/s1
InChIKeyAPEIPRSXHKHLOU-UONOGXRCSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol?
The IUPAC name of (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol (CID 11791680) is (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol.
What is the SMILES notation for (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol?
The canonical SMILES for (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol is C=CCC[C@H](O)[C@@]1(CC=C)CCCC12OCCO2.
What is the InChIKey of (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol?
The InChIKey is APEIPRSXHKHLOU-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-5-7-13(16)14(8-4-2)9-6-10-15(14)17-11-12-18-15/h3-4,13,16H,1-2,5-12H2/t13-,14+/m0/s1.
What are the key properties of (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol?
(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol has a molecular weight of 252.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol is sourced from PubChem (CID 11791680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).