1-methoxy-3-(3-methoxycyclohexyl)cyclohexane

C14H26O2 — CID 140718848

IUPAC1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
SMILESCOC1CCCC(C2CCCC(OC)C2)C1
InChIInChI=1S/C14H26O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h11-14H,3-10H2,1-2H3
InChIKeyLLZORTQMWQMXPD-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.40
Rot. Bonds3

About 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane

1-methoxy-3-(3-methoxycyclohexyl)cyclohexane (PubChem CID 140718848) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
PubChem CID140718848
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
SMILESCOC1CCCC(C2CCCC(OC)C2)C1
InChIInChI=1S/C14H26O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h11-14H,3-10H2,1-2H3
InChIKeyLLZORTQMWQMXPD-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxycyclohexyl)cyclohexene
CID 89299803
1,6-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 121446270
trans-(1S,3S)-3-methoxycyclohexane-1-thiol
CID 146570954
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
1-methoxy-4-(4-methylcyclohexyl)cycloheptane
CID 130462304
methoxycyclopentane;dihydrate
CID 159895201
azane;methoxycyclopentane
CID 70270429
methoxycyclooctane
CID 551195
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
4-ethyl-2-(3-methoxycyclohexyl)cyclohexan-1-one
CID 79416599
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane?
The IUPAC name of 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane (CID 140718848) is 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane is COC1CCCC(C2CCCC(OC)C2)C1.
What is the InChIKey of 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane?
The InChIKey is LLZORTQMWQMXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane?
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane has a molecular weight of 226.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxycyclohexyl)cyclohexane is sourced from PubChem (CID 140718848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).