ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane

C19H42 — CID 143562850

IUPACethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
SMILESCC.CC(C)C1CCCCC1.CCC(C)C(C)(C)C
InChIInChI=1S/C9H18.C8H18.C2H6/c1-8(2)9-6-4-3-5-7-9;1-6-7(2)8(3,4)5;1-2/h8-9H,3-7H2,1-2H3;7H,6H2,1-5H3;1-2H3
InChIKeyMIDWXVBYMOXUCD-UHFFFAOYSA-N
MW270.55 g/mol
LogP7.33
Rot. Bonds2

About ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane

ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane (PubChem CID 143562850) has the molecular formula C19H42 and a molecular weight of 270.55 g/mol. Its IUPAC name is ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane.

Molecular Properties

Compound Nameethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
PubChem CID143562850
Molecular FormulaC19H42
Molecular Weight270.55 g/mol
Exact Mass270.33
IUPAC Nameethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
SMILESCC.CC(C)C1CCCCC1.CCC(C)C(C)(C)C
InChIInChI=1S/C9H18.C8H18.C2H6/c1-8(2)9-6-4-3-5-7-9;1-6-7(2)8(3,4)5;1-2/h8-9H,3-7H2,1-2H3;7H,6H2,1-5H3;1-2H3
InChIKeyMIDWXVBYMOXUCD-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.55
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isopropylcyclohexane
CID 12763
sec-Butylcyclohexane
CID 23468
1,1,2-Trimethylcyclohexane
CID 35363
Decylcyclohexane
CID 15713
1-Methyl-1-ethylcyclohexane
CID 35411
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
Cyclohexane, tetradecyl-
CID 15715
tert-Butylcyclohexane
CID 18508
Tridecylcyclohexane
CID 22327
Undecylcyclohexane
CID 40997
Dodecylcyclohexane
CID 15714
1-Cyclohexyloctadecane
CID 20514

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane?
The IUPAC name of ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane (CID 143562850) is ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane.
What is the SMILES notation for ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane?
The canonical SMILES for ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane is CC.CC(C)C1CCCCC1.CCC(C)C(C)(C)C.
What is the InChIKey of ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane?
The InChIKey is MIDWXVBYMOXUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H18.C2H6/c1-8(2)9-6-4-3-5-7-9;1-6-7(2)8(3,4)5;1-2/h8-9H,3-7H2,1-2H3;7H,6H2,1-5H3;1-2H3.
What are the key properties of ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane?
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane has a molecular weight of 270.55 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane is sourced from PubChem (CID 143562850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).