2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene

C19H32 — CID 123385181

IUPAC2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
SMILESCC(C)C(CC(C)(C)C)C1C=CC(C2CC2)=CC1C
InChIInChI=1S/C19H32/c1-13(2)18(12-19(4,5)6)17-10-9-16(11-14(17)3)15-7-8-15/h9-11,13-15,17-18H,7-8,12H2,1-6H3
InChIKeySVWSGYYMSZQPTD-UHFFFAOYSA-N
MW260.47 g/mol
LogP5.85
Rot. Bonds4

About 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene

2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene (PubChem CID 123385181) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
PubChem CID123385181
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Name2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
SMILESCC(C)C(CC(C)(C)C)C1C=CC(C2CC2)=CC1C
InChIInChI=1S/C19H32/c1-13(2)18(12-19(4,5)6)17-10-9-16(11-14(17)3)15-7-8-15/h9-11,13-15,17-18H,7-8,12H2,1-6H3
InChIKeySVWSGYYMSZQPTD-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-2,4-dien-1-ol
CID 123239689
4-(4,4-dimethylpentan-2-yl)cyclohex-2-en-1-one
CID 86190844
2,3,5,5-tetramethylhexylcyclohexane
CID 57232687
2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine
CID 153338487
(E)-3-[6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-yl]prop-2-enal
CID 144725591
N-(3,5,5-trimethylhexyl)cyclopentanamine
CID 60984290
1-methyl-3-(2,4,4-trimethylpentyl)pyrrolidine
CID 58283754
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 148607345
1-(4-cyclohexylcyclohexa-2,4-dien-1-yl)-2-methylpropan-1-ol
CID 163611370
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 142209321
1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 90828048

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene (CID 123385181) is 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene is CC(C)C(CC(C)(C)C)C1C=CC(C2CC2)=CC1C.
What is the InChIKey of 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene?
The InChIKey is SVWSGYYMSZQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-13(2)18(12-19(4,5)6)17-10-9-16(11-14(17)3)15-7-8-15/h9-11,13-15,17-18H,7-8,12H2,1-6H3.
What are the key properties of 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene?
2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene has a molecular weight of 260.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 123385181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).