1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one

C16H24O3 — CID 101140096

IUPAC1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one
SMILESC=CCCC(=O)[C@@]1(CC=C)CCCCC12OCCO2
InChIInChI=1S/C16H24O3/c1-3-5-8-14(17)15(9-4-2)10-6-7-11-16(15)18-12-13-19-16/h3-4H,1-2,5-13H2/t15-/m1/s1
InChIKeyFKYXVHIBKCGKNM-OAHLLOKOSA-N
MW264.36 g/mol
LogP3.40
Rot. Bonds6

About 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one

1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one (PubChem CID 101140096) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one
PubChem CID101140096
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one
SMILESC=CCCC(=O)[C@@]1(CC=C)CCCCC12OCCO2
InChIInChI=1S/C16H24O3/c1-3-5-8-14(17)15(9-4-2)10-6-7-11-16(15)18-12-13-19-16/h3-4H,1-2,5-13H2/t15-/m1/s1
InChIKeyFKYXVHIBKCGKNM-OAHLLOKOSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
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 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one?
The IUPAC name of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one (CID 101140096) is 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one?
The canonical SMILES for 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one is C=CCCC(=O)[C@@]1(CC=C)CCCCC12OCCO2.
What is the InChIKey of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one?
The InChIKey is FKYXVHIBKCGKNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-8-14(17)15(9-4-2)10-6-7-11-16(15)18-12-13-19-16/h3-4H,1-2,5-13H2/t15-/m1/s1.
What are the key properties of 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one?
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-one is sourced from PubChem (CID 101140096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).