1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane

C15H30 — CID 177164103

IUPAC1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)C(C(C)(C)C)CC1C
InChIInChI=1S/C15H30/c1-10(2)13-8-12(4)14(9-11(13)3)15(5,6)7/h10-14H,8-9H2,1-7H3
InChIKeyVCNYRQQDEOTBFX-UHFFFAOYSA-N
MW210.40 g/mol
LogP4.99
Rot. Bonds1

About 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane

1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane (PubChem CID 177164103) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
PubChem CID177164103
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)C(C(C)(C)C)CC1C
InChIInChI=1S/C15H30/c1-10(2)13-8-12(4)14(9-11(13)3)15(5,6)7/h10-14H,8-9H2,1-7H3
InChIKeyVCNYRQQDEOTBFX-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
CID 144658339
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
2-ethyl-1-methyl-3-[2-methyl-1-(2-methyl-4-propan-2-ylcyclobutyl)propan-2-yl]cyclobutane
CID 123987093
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
1,3-ditert-butyl-5-methyl-2-propan-2-ylcyclohexane
CID 140714074
2-tert-butyl-5-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 155634444
1-methyl-2-[3-(2-propan-2-ylcyclopropyl)butan-2-yl]cyclopropane
CID 123798468

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane (CID 177164103) is 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane is CC(C)C1CC(C)C(C(C)(C)C)CC1C.
What is the InChIKey of 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane?
The InChIKey is VCNYRQQDEOTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-10(2)13-8-12(4)14(9-11(13)3)15(5,6)7/h10-14H,8-9H2,1-7H3.
What are the key properties of 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane?
1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 177164103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).