1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane

C14H28 — CID 18735015

IUPAC1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C)(C)CC1C(C)C
InChIInChI=1S/C14H28/c1-10(2)12-7-8-14(5,6)9-13(12)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyGUPXMCIHRXKZAQ-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds2

About 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane

1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane (PubChem CID 18735015) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
PubChem CID18735015
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCC(C)(C)CC1C(C)C
InChIInChI=1S/C14H28/c1-10(2)12-7-8-14(5,6)9-13(12)11(3)4/h10-13H,7-9H2,1-6H3
InChIKeyGUPXMCIHRXKZAQ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
8,9-di(propan-2-yl)spiro[4.5]decane
CID 140631430
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
CID 142848470
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
N-ethyl-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 122582300
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
1-chloro-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 140846235
3,3-dimethyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103562428
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
4,11-dimethyl-8-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,7-diol
CID 85446360

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane?
The IUPAC name of 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane (CID 18735015) is 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane?
The canonical SMILES for 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane is CC(C)C1CCC(C)(C)CC1C(C)C.
What is the InChIKey of 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane?
The InChIKey is GUPXMCIHRXKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)12-7-8-14(5,6)9-13(12)11(3)4/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane?
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 18735015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).