1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane

C18H34 — CID 142573573

IUPAC1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
SMILESCCCC1CCC(C(C)C2CC(C)[C@H](C)C2)CC1
InChIInChI=1S/C18H34/c1-5-6-16-7-9-17(10-8-16)15(4)18-11-13(2)14(3)12-18/h13-18H,5-12H2,1-4H3/t13-,14?,15?,16?,17?,18?/m1/s1
InChIKeyQEKBQINYRUNADX-RGYNNNPXSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds4

About 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane

1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane (PubChem CID 142573573) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane.

Molecular Properties

Compound Name1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
PubChem CID142573573
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
SMILESCCCC1CCC(C(C)C2CC(C)[C@H](C)C2)CC1
InChIInChI=1S/C18H34/c1-5-6-16-7-9-17(10-8-16)15(4)18-11-13(2)14(3)12-18/h13-18H,5-12H2,1-4H3/t13-,14?,15?,16?,17?,18?/m1/s1
InChIKeyQEKBQINYRUNADX-RGYNNNPXSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-propyl-1-[1-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane
CID 19846742
3-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]butan-2-ylbenzene
CID 173405945
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine
CID 65424912
1-methyl-4-propan-2-yl-2-propylcyclohexane
CID 91031299
ethane;propane;propylcyclopropane
CID 145406182
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
N-methyl-1-(4-methylcyclohexyl)-1-(4-propylcyclohexyl)methanamine
CID 65423190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane?
The IUPAC name of 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane (CID 142573573) is 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane.
What is the SMILES notation for 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane?
The canonical SMILES for 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane is CCCC1CCC(C(C)C2CC(C)[C@H](C)C2)CC1.
What is the InChIKey of 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane?
The InChIKey is QEKBQINYRUNADX-RGYNNNPXSA-N. The full InChI is InChI=1S/C18H34/c1-5-6-16-7-9-17(10-8-16)15(4)18-11-13(2)14(3)12-18/h13-18H,5-12H2,1-4H3/t13-,14?,15?,16?,17?,18?/m1/s1.
What are the key properties of 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane?
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane has a molecular weight of 250.47 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane is sourced from PubChem (CID 142573573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).