1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane

C14H28 — CID 59769394

IUPAC1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane
SMILESCC(C)C1(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H28/c1-11(2)14(7)9-12(3,4)8-13(5,6)10-14/h11H,8-10H2,1-7H3
InChIKeyMJXLCAPLOVYXMF-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds1

About 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane

1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane (PubChem CID 59769394) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane
PubChem CID59769394
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane
SMILESCC(C)C1(C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H28/c1-11(2)14(7)9-12(3,4)8-13(5,6)10-14/h11H,8-10H2,1-7H3
InChIKeyMJXLCAPLOVYXMF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Methyl-4-isopropylcyclohexane
CID 7459
Isopropylcyclohexane
CID 12763
1,3-Dimethylcyclohexane
CID 11564
Pentylcyclohexane
CID 20284
1,2,4-Trimethylcyclohexane
CID 91517
sec-Butylcyclohexane
CID 23468
1,1-Dimethylcyclohexane
CID 11549
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
1,3,5-Trimethylcyclohexane
CID 35364
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane?
The IUPAC name of 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane (CID 59769394) is 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane?
The canonical SMILES for 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane is CC(C)C1(C)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane?
The InChIKey is MJXLCAPLOVYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-11(2)14(7)9-12(3,4)8-13(5,6)10-14/h11H,8-10H2,1-7H3.
What are the key properties of 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane?
1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5-pentamethyl-5-propan-2-ylcyclohexane is sourced from PubChem (CID 59769394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).