8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

C18H28O3 — CID 574532

IUPAC8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESC=CCC(C)C1=CC(=O)OC2(CC(C)CCC2C(C)C)O1
InChIInChI=1S/C18H28O3/c1-6-7-14(5)16-10-17(19)21-18(20-16)11-13(4)8-9-15(18)12(2)3/h6,10,12-15H,1,7-9,11H2,2-5H3
InChIKeyVHQNNTCQIQMLBC-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.44
Rot. Bonds4

About 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 574532) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID574532
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESC=CCC(C)C1=CC(=O)OC2(CC(C)CCC2C(C)C)O1
InChIInChI=1S/C18H28O3/c1-6-7-14(5)16-10-17(19)21-18(20-16)11-13(4)8-9-15(18)12(2)3/h6,10,12-15H,1,7-9,11H2,2-5H3
InChIKeyVHQNNTCQIQMLBC-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one with MolForge

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Launch Full Analysis

Related Compounds

(6S,8R,11S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 15921426
(6R,8R,11S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10988335
(-)-Menthyl (e)-hex-2-enoate
CID 13465302
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-hex-2-enoate
CID 13465303
2,2,5-trimethyl-6-[[(1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]methyl]-1,3-dioxin-4-one
CID 134959657
(6S)-7-Isopropyl-2,10-dimethyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 57346442
1,5-Dioxaspiro[5.5]undec-3-en-2-on, 3-(3-butenyl)-7-isopropyl-4,10-dimethyl-
CID 566426
1,5-Dioxaspiro[5.5]undec-3-en-2-one, 7-isopropyl-4,10-dimethyl-
CID 574328
1,5-Dioxaspiro[5.5]undec-2-en-4-one, 2-(3-butenyl)-7-isopropyl-10-methyl-3-(2-propenyl)-
CID 579036
1,5-Dioxaspiro[5.5]undec-3-en-2-one, 7-isopropyl-4,10-dimethyl-3-(2-propenyl)-
CID 579909
(6S,8R,11S)-8-methyl-11-propan-2-yl-2-[(E)-prop-1-enyl]-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 101925412
(6S,8R,11S)-8-methyl-11-propan-2-yl-2-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 10984044

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (CID 574532) is 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is C=CCC(C)C1=CC(=O)OC2(CC(C)CCC2C(C)C)O1.
What is the InChIKey of 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is VHQNNTCQIQMLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-6-7-14(5)16-10-17(19)21-18(20-16)11-13(4)8-9-15(18)12(2)3/h6,10,12-15H,1,7-9,11H2,2-5H3.
What are the key properties of 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 292.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-pent-4-en-2-yl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 574532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).