1,1,2,5,5-pentamethyl-3-propylcyclohexane

C14H28 — CID 59420056

IUPAC1,1,2,5,5-pentamethyl-3-propylcyclohexane
SMILESCCCC1CC(C)(C)CC(C)(C)C1C
InChIInChI=1S/C14H28/c1-7-8-12-9-13(3,4)10-14(5,6)11(12)2/h11-12H,7-10H2,1-6H3
InChIKeyNCFIPLKOZMKMEY-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds2

About 1,1,2,5,5-pentamethyl-3-propylcyclohexane

1,1,2,5,5-pentamethyl-3-propylcyclohexane (PubChem CID 59420056) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1,2,5,5-pentamethyl-3-propylcyclohexane.

Molecular Properties

Compound Name1,1,2,5,5-pentamethyl-3-propylcyclohexane
PubChem CID59420056
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1,2,5,5-pentamethyl-3-propylcyclohexane
SMILESCCCC1CC(C)(C)CC(C)(C)C1C
InChIInChI=1S/C14H28/c1-7-8-12-9-13(3,4)10-14(5,6)11(12)2/h11-12H,7-10H2,1-6H3
InChIKeyNCFIPLKOZMKMEY-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,5,5-pentamethyl-3-propylcyclohexane?
The IUPAC name of 1,1,2,5,5-pentamethyl-3-propylcyclohexane (CID 59420056) is 1,1,2,5,5-pentamethyl-3-propylcyclohexane.
What is the SMILES notation for 1,1,2,5,5-pentamethyl-3-propylcyclohexane?
The canonical SMILES for 1,1,2,5,5-pentamethyl-3-propylcyclohexane is CCCC1CC(C)(C)CC(C)(C)C1C.
What is the InChIKey of 1,1,2,5,5-pentamethyl-3-propylcyclohexane?
The InChIKey is NCFIPLKOZMKMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-8-12-9-13(3,4)10-14(5,6)11(12)2/h11-12H,7-10H2,1-6H3.
What are the key properties of 1,1,2,5,5-pentamethyl-3-propylcyclohexane?
1,1,2,5,5-pentamethyl-3-propylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,5,5-pentamethyl-3-propylcyclohexane is sourced from PubChem (CID 59420056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).