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

C14H28 — CID 140583880

IUPAC1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)(C)C(C)C(C)(C)C1
InChIInChI=1S/C14H28/c1-10(2)12-8-13(4,5)11(3)14(6,7)9-12/h10-12H,8-9H2,1-7H3
InChIKeyJPAFFVNNXHMLLD-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds1

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

1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane (PubChem CID 140583880) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
PubChem CID140583880
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)(C)C(C)C(C)(C)C1
InChIInChI=1S/C14H28/c1-10(2)12-8-13(4,5)11(3)14(6,7)9-12/h10-12H,8-9H2,1-7H3
InChIKeyJPAFFVNNXHMLLD-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
CID 167705554
2,2,6,6-tetramethyl-1,4-di(propan-2-yl)piperidine
CID 58730801
1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
(1R,2R,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 131849352
(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
CID 10261332
cis-(1S,4S)-2,2-dimethyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 118343603
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
cis-(1R,5R)-1,3,3-trimethyl-5-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 66838571
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820
ethane;1,1,2,3,3-pentamethylcyclobutane
CID 177318359
6-propan-2-yl-2-azanidaspiro[3.3]heptane;tungsten
CID 153472187
6-propan-2-yl-1-azaspiro[3.3]heptane
CID 103565323

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane?
The IUPAC name of 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane (CID 140583880) is 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane?
The canonical SMILES for 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane is CC(C)C1CC(C)(C)C(C)C(C)(C)C1.
What is the InChIKey of 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane?
The InChIKey is JPAFFVNNXHMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10(2)12-8-13(4,5)11(3)14(6,7)9-12/h10-12H,8-9H2,1-7H3.
What are the key properties of 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane?
1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane is sourced from PubChem (CID 140583880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).