1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane

C18H34 — CID 59862011

IUPAC1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane
SMILESC=C(CC1CCC(C(C)(C)C)CC1)C(C)(C)CC
InChIInChI=1S/C18H34/c1-8-18(6,7)14(2)13-15-9-11-16(12-10-15)17(3,4)5/h15-16H,2,8-13H2,1,3-7H3
InChIKeyBDDLJSHVIAGHNN-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.22
Rot. Bonds4

About 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane

1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane (PubChem CID 59862011) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane
PubChem CID59862011
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane
SMILESC=C(CC1CCC(C(C)(C)C)CC1)C(C)(C)CC
InChIInChI=1S/C18H34/c1-8-18(6,7)14(2)13-15-9-11-16(12-10-15)17(3,4)5/h15-16H,2,8-13H2,1,3-7H3
InChIKeyBDDLJSHVIAGHNN-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Beta-Elemene
CID 6918391
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
CID 10583
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-
CID 9859094
(-)-cis-beta-Elemene
CID 6431151
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
p-Menth-1(7)-ene
CID 517973
(1R,7E,11Z)-(-)-verticilla-4(20),7,11-triene
CID 15939524
Cyclohexane, 1-(1,1-dimethylethyl)-4-methylene-
CID 139425
2,4,4,6,6,8,8-Heptamethyl-1-nonene
CID 545785
(1S,2R,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 6431152
1,1,2-Trimethyl-3,5-bis(1-methylethenyl)cyclohexane
CID 535217
1,1-Dimethyl-3-methylene-2-ethenylcyclohexane
CID 550088

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane (CID 59862011) is 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane is C=C(CC1CCC(C(C)(C)C)CC1)C(C)(C)CC.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane?
The InChIKey is BDDLJSHVIAGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-8-18(6,7)14(2)13-15-9-11-16(12-10-15)17(3,4)5/h15-16H,2,8-13H2,1,3-7H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane?
1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethyl-2-methylidenepentyl)cyclohexane is sourced from PubChem (CID 59862011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).