1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene

C20H30O — CID 121481798

IUPAC1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene
SMILESCC1=CC(C)(C)CCC1=COC=C1CCC(C)(C)C=C1C
InChIInChI=1S/C20H30O/c1-15-11-19(3,4)9-7-17(15)13-21-14-18-8-10-20(5,6)12-16(18)2/h11-14H,7-10H2,1-6H3
InChIKeyHAQVAJDKTQXILH-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.30
Rot. Bonds2

About 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene

1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene (PubChem CID 121481798) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene.

Molecular Properties

Compound Name1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene
PubChem CID121481798
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene
SMILESCC1=CC(C)(C)CCC1=COC=C1CCC(C)(C)C=C1C
InChIInChI=1S/C20H30O/c1-15-11-19(3,4)9-7-17(15)13-21-14-18-8-10-20(5,6)12-16(18)2/h11-14H,7-10H2,1-6H3
InChIKeyHAQVAJDKTQXILH-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene?
The IUPAC name of 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene (CID 121481798) is 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene.
What is the SMILES notation for 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene?
The canonical SMILES for 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene is CC1=CC(C)(C)CCC1=COC=C1CCC(C)(C)C=C1C.
What is the InChIKey of 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene?
The InChIKey is HAQVAJDKTQXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-15-11-19(3,4)9-7-17(15)13-21-14-18-8-10-20(5,6)12-16(18)2/h11-14H,7-10H2,1-6H3.
What are the key properties of 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene?
1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene has a molecular weight of 286.46 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-6-[(2,4,4-trimethylcyclohex-2-en-1-ylidene)methoxymethylidene]cyclohexene is sourced from PubChem (CID 121481798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).