[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane

C21H38 — CID 173286902

IUPAC[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
SMILESCC1CCC(C(C)C)C(C(C2CCCCCC2)C2CC2)C1
InChIInChI=1S/C21H38/c1-15(2)19-13-10-16(3)14-20(19)21(18-11-12-18)17-8-6-4-5-7-9-17/h15-21H,4-14H2,1-3H3
InChIKeyOMOPUWSEAVLNRX-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.69
Rot. Bonds4

About [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane

[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane (PubChem CID 173286902) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane.

Molecular Properties

Compound Name[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
PubChem CID173286902
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
SMILESCC1CCC(C(C)C)C(C(C2CCCCCC2)C2CC2)C1
InChIInChI=1S/C21H38/c1-15(2)19-13-10-16(3)14-20(19)21(18-11-12-18)17-8-6-4-5-7-9-17/h15-21H,4-14H2,1-3H3
InChIKeyOMOPUWSEAVLNRX-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
methane;propan-2-ylcyclotetradecane
CID 159882779
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
(E,1R)-3-cyclohexyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]but-2-en-1-ol
CID 101356330

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane?
The IUPAC name of [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane (CID 173286902) is [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane.
What is the SMILES notation for [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane?
The canonical SMILES for [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane is CC1CCC(C(C)C)C(C(C2CCCCCC2)C2CC2)C1.
What is the InChIKey of [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane?
The InChIKey is OMOPUWSEAVLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-15(2)19-13-10-16(3)14-20(19)21(18-11-12-18)17-8-6-4-5-7-9-17/h15-21H,4-14H2,1-3H3.
What are the key properties of [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane?
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane has a molecular weight of 290.54 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane is sourced from PubChem (CID 173286902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).