1-methoxy-4-(4-methylcyclohexyl)cycloheptane

C15H28O — CID 130462304

IUPAC1-methoxy-4-(4-methylcyclohexyl)cycloheptane
SMILESCOC1CCCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H28O/c1-12-6-8-14(9-7-12)13-4-3-5-15(16-2)11-10-13/h12-15H,3-11H2,1-2H3
InChIKeyYYVPNKHMEWQMRU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.41
Rot. Bonds2

About 1-methoxy-4-(4-methylcyclohexyl)cycloheptane

1-methoxy-4-(4-methylcyclohexyl)cycloheptane (PubChem CID 130462304) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-methoxy-4-(4-methylcyclohexyl)cycloheptane.

Molecular Properties

Compound Name1-methoxy-4-(4-methylcyclohexyl)cycloheptane
PubChem CID130462304
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-methoxy-4-(4-methylcyclohexyl)cycloheptane
SMILESCOC1CCCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C15H28O/c1-12-6-8-14(9-7-12)13-4-3-5-15(16-2)11-10-13/h12-15H,3-11H2,1-2H3
InChIKeyYYVPNKHMEWQMRU-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[(E)-2-[4-[cyclohexyl-(4-methoxycyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503086
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
[4-(4-methoxycyclohexyl)cyclohexyl] hypoiodite
CID 139555769
methoxycyclopentane;dihydrate
CID 159895201
methoxycyclooctane
CID 551195
azane;methoxycyclopentane
CID 70270429
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
4-(4-methylcycloheptyl)cyclohexan-1-ol
CID 135218850
1-(4-fluorocyclohexyl)-4-methylcycloheptane
CID 142144551
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1-[cyclohexyl-(4-methoxycyclohexyl)phosphoryl]-4-methylcyclohexane
CID 140593241

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)cycloheptane?
The IUPAC name of 1-methoxy-4-(4-methylcyclohexyl)cycloheptane (CID 130462304) is 1-methoxy-4-(4-methylcyclohexyl)cycloheptane.
What is the SMILES notation for 1-methoxy-4-(4-methylcyclohexyl)cycloheptane?
The canonical SMILES for 1-methoxy-4-(4-methylcyclohexyl)cycloheptane is COC1CCCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methoxy-4-(4-methylcyclohexyl)cycloheptane?
The InChIKey is YYVPNKHMEWQMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12-6-8-14(9-7-12)13-4-3-5-15(16-2)11-10-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-methoxy-4-(4-methylcyclohexyl)cycloheptane?
1-methoxy-4-(4-methylcyclohexyl)cycloheptane has a molecular weight of 224.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methylcyclohexyl)cycloheptane is sourced from PubChem (CID 130462304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).