[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane

C20H36 — CID 140856779

IUPAC[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
SMILESC1CCCC(CC2CCC(CC3CCCC3)CC2)CC1
InChIInChI=1S/C20H36/c1-2-4-8-17(7-3-1)15-19-11-13-20(14-12-19)16-18-9-5-6-10-18/h17-20H,1-16H2
InChIKeyBYAXVPCZMJPMES-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.73
Rot. Bonds4

About [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane

[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane (PubChem CID 140856779) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
PubChem CID140856779
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
SMILESC1CCCC(CC2CCC(CC3CCCC3)CC2)CC1
InChIInChI=1S/C20H36/c1-2-4-8-17(7-3-1)15-19-11-13-20(14-12-19)16-18-9-5-6-10-18/h17-20H,1-16H2
InChIKeyBYAXVPCZMJPMES-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopentadecylmethylcyclopentadecane
CID 91804599
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
1-chloro-4-(cyclohexylmethyl)cyclohexane
CID 67573435
1,4-bis(cyclohexylmethyl)cyclohexane;propane;hydrofluoride;hydroiodide
CID 169430609
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183
1-(cyclohexylmethyl)-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
CID 21015071
cyclohexylmethylcyclohexane;piperazine
CID 174648338
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
[4-(cyclohexylmethyl)cyclohexyl]methanediol
CID 141266988
1-(cyclohexylmethyl)-4-methoxycyclohexane
CID 139535555

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane?
The IUPAC name of [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane (CID 140856779) is [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane.
What is the SMILES notation for [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane?
The canonical SMILES for [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane is C1CCCC(CC2CCC(CC3CCCC3)CC2)CC1.
What is the InChIKey of [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane?
The InChIKey is BYAXVPCZMJPMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-2-4-8-17(7-3-1)15-19-11-13-20(14-12-19)16-18-9-5-6-10-18/h17-20H,1-16H2.
What are the key properties of [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane?
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane has a molecular weight of 276.51 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane is sourced from PubChem (CID 140856779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).