3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one

C25H38O2 — CID 85146845

IUPAC3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one
SMILESCC(=CCCC1=CC(=O)OC1)CCC=C(C)CCC1(C)C(C)=CCCC1C
InChIInChI=1S/C25H38O2/c1-19(11-7-14-23-17-24(26)27-18-23)9-6-10-20(2)15-16-25(5)21(3)12-8-13-22(25)4/h10-12,17,22H,6-9,13-16,18H2,1-5H3
InChIKeyQKFVAMNZQMXWPV-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.09
Rot. Bonds9

About 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one

3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one (PubChem CID 85146845) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one
PubChem CID85146845
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one
SMILESCC(=CCCC1=CC(=O)OC1)CCC=C(C)CCC1(C)C(C)=CCCC1C
InChIInChI=1S/C25H38O2/c1-19(11-7-14-23-17-24(26)27-18-23)9-6-10-20(2)15-16-25(5)21(3)12-8-13-22(25)4/h10-12,17,22H,6-9,13-16,18H2,1-5H3
InChIKeyQKFVAMNZQMXWPV-UHFFFAOYSA-N
XLogP7.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
CID 10998575
7-[3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162961314
[2-[3-(furan-3-yl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]oct-5-enyl] hydrogen sulfate
CID 163036421
4-methoxy-6-[2-methyl-4-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]but-1-enyl]pyran-2-one
CID 162866089
N-[3,7-dimethyl-9-(1,2,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dienyl]-N-[4-(methylamino)-6-(propan-2-ylamino)pyrimidin-5-yl]formamide
CID 78141539
[(1R,3R,4R,4aR,8aR)-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,4a,5,6-hexahydronaphthalen-1-yl] acetate
CID 162922357
3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide
CID 75049088
3-[2-[(1R,2S,4R,4aR,8aR)-4-hydroxy-1,2,4a,5-tetramethyl-3-oxo-4,7,8,8a-tetrahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CID 14543731
[(1R,3R,4R,4aS,8aR)-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,3,4a,5,6-hexahydronaphthalen-1-yl] (Z)-2-methylbut-2-enoate
CID 101297701
(4aS,5S,7R,8S,8aR)-5-hydroxy-4,7,8-trimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
CID 163071117
2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol
CID 74051197
[2,6-dimethyl-9-(5-oxo-2H-furan-3-yl)nona-2,6-dien-4-yl] acetate
CID 85178401

Frequently Asked Questions

What is the IUPAC name of 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one?
The IUPAC name of 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one (CID 85146845) is 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one.
What is the SMILES notation for 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one?
The canonical SMILES for 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one is CC(=CCCC1=CC(=O)OC1)CCC=C(C)CCC1(C)C(C)=CCCC1C.
What is the InChIKey of 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one?
The InChIKey is QKFVAMNZQMXWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2/c1-19(11-7-14-23-17-24(26)27-18-23)9-6-10-20(2)15-16-25(5)21(3)12-8-13-22(25)4/h10-12,17,22H,6-9,13-16,18H2,1-5H3.
What are the key properties of 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one?
3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one has a molecular weight of 370.58 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one is sourced from PubChem (CID 85146845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).