(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane

C32H68 — CID 157285148

IUPAC(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
SMILESCC.CC.CC.CC(C)C(C1CCCCC1)C1CCCCC1.CC(C)CC1CCCCC1
InChIInChI=1S/C16H30.C10H20.3C2H6/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-9(2)8-10-6-4-3-5-7-10;3*1-2/h13-16H,3-12H2,1-2H3;9-10H,3-8H2,1-2H3;3*1-2H3
InChIKeyBADHNWWGLYXKMA-UHFFFAOYSA-N
MW452.90 g/mol
LogP12.11
Rot. Bonds5

About (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane

(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane (PubChem CID 157285148) has the molecular formula C32H68 and a molecular weight of 452.90 g/mol. Its IUPAC name is (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane.

Molecular Properties

Compound Name(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
PubChem CID157285148
Molecular FormulaC32H68
Molecular Weight452.90 g/mol
Exact Mass452.53
IUPAC Name(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
SMILESCC.CC.CC.CC(C)C(C1CCCCC1)C1CCCCC1.CC(C)CC1CCCCC1
InChIInChI=1S/C16H30.C10H20.3C2H6/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-9(2)8-10-6-4-3-5-7-10;3*1-2/h13-16H,3-12H2,1-2H3;9-10H,3-8H2,1-2H3;3*1-2H3
InChIKeyBADHNWWGLYXKMA-UHFFFAOYSA-N
XLogP12.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.90
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane?
The IUPAC name of (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane (CID 157285148) is (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane.
What is the SMILES notation for (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane?
The canonical SMILES for (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane is CC.CC.CC.CC(C)C(C1CCCCC1)C1CCCCC1.CC(C)CC1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane?
The InChIKey is BADHNWWGLYXKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C10H20.3C2H6/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-9(2)8-10-6-4-3-5-7-10;3*1-2/h13-16H,3-12H2,1-2H3;9-10H,3-8H2,1-2H3;3*1-2H3.
What are the key properties of (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane?
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane has a molecular weight of 452.90 g/mol, XLogP of 12.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane is sourced from PubChem (CID 157285148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).