1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane

C38H66 — CID 160537079

IUPAC1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane
SMILESCCC12CC3CC(CC(C3)C1)C2.CCC1CCCCC1.CCCC1CCCCC1.CCCc1ccccc1
InChIInChI=1S/C12H20.C9H18.C9H12.C8H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8/h9-11H,2-8H2,1H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;8H,2-7H2,1H3
InChIKeyQWHJCRBZQITROG-UHFFFAOYSA-N
MW522.95 g/mol
LogP12.60
Rot. Bonds6

About 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane

1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane (PubChem CID 160537079) has the molecular formula C38H66 and a molecular weight of 522.95 g/mol. Its IUPAC name is 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane.

Molecular Properties

Compound Name1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane
PubChem CID160537079
Molecular FormulaC38H66
Molecular Weight522.95 g/mol
Exact Mass522.52
IUPAC Name1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane
SMILESCCC12CC3CC(CC(C3)C1)C2.CCC1CCCCC1.CCCC1CCCCC1.CCCc1ccccc1
InChIInChI=1S/C12H20.C9H18.C9H12.C8H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8/h9-11H,2-8H2,1H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;8H,2-7H2,1H3
InChIKeyQWHJCRBZQITROG-UHFFFAOYSA-N
XLogP12.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.95
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane
CID 161464946
2-phenylethylcyclooctane
CID 54073487
ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene
CID 167540027
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
1,1'-biphenyl;ethane;ethylbenzene;ethylcyclohexane;propane
CID 160751145
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
1-(3-phenylpropyl)-4-propylcycloheptan-1-ol
CID 65151413
propylcyclotetradecane
CID 90991550
ethylcyclohexane;phenol
CID 174842147
2-cyclopentyl-N-(2-phenylethyl)ethanamine
CID 54856926
propylbenzene;hydrobromide
CID 70024036

Frequently Asked Questions

What is the IUPAC name of 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane?
The IUPAC name of 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane (CID 160537079) is 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane.
What is the SMILES notation for 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane?
The canonical SMILES for 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane is CCC12CC3CC(CC(C3)C1)C2.CCC1CCCCC1.CCCC1CCCCC1.CCCc1ccccc1.
What is the InChIKey of 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane?
The InChIKey is QWHJCRBZQITROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C9H18.C9H12.C8H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;2*1-2-6-9-7-4-3-5-8-9;1-2-8-6-4-3-5-7-8/h9-11H,2-8H2,1H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;8H,2-7H2,1H3.
What are the key properties of 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane?
1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane has a molecular weight of 522.95 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyladamantane;ethylcyclohexane;propylbenzene;propylcyclohexane is sourced from PubChem (CID 160537079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).