1,2-dimethoxycyclohexane;methoxycyclohexane

C15H30O3 — CID 174549782

IUPAC1,2-dimethoxycyclohexane;methoxycyclohexane
SMILESCOC1CCCCC1.COC1CCCCC1OC
InChIInChI=1S/C8H16O2.C7H14O/c1-9-7-5-3-4-6-8(7)10-2;1-8-7-5-3-2-4-6-7/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3
InChIKeyTXJQPAREXQVQSP-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.56
Rot. Bonds3

About 1,2-dimethoxycyclohexane;methoxycyclohexane

1,2-dimethoxycyclohexane;methoxycyclohexane (PubChem CID 174549782) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1,2-dimethoxycyclohexane;methoxycyclohexane.

Molecular Properties

Compound Name1,2-dimethoxycyclohexane;methoxycyclohexane
PubChem CID174549782
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1,2-dimethoxycyclohexane;methoxycyclohexane
SMILESCOC1CCCCC1.COC1CCCCC1OC
InChIInChI=1S/C8H16O2.C7H14O/c1-9-7-5-3-4-6-8(7)10-2;1-8-7-5-3-2-4-6-7/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3
InChIKeyTXJQPAREXQVQSP-UHFFFAOYSA-N
XLogP3.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methoxycyclooctane
CID 551195
methoxycyclopentane;dihydrate
CID 159895201
azane;methoxycyclopentane
CID 70270429
formaldehyde;methoxycyclohexane
CID 142252216
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
carbonyl difluoride;methoxycyclohexane
CID 158973981
5-methoxycyclopentadecane-1-carbaldehyde
CID 130421288
heptane;methoxycyclopentane
CID 131735357
cis-(1S,2R)-2-methoxycycloheptan-1-amine
CID 30817490
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
trans-(1S,2S)-1-methoxy-2-propan-2-yloxycyclohexane
CID 134594695
trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
CID 126735216

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxycyclohexane;methoxycyclohexane?
The IUPAC name of 1,2-dimethoxycyclohexane;methoxycyclohexane (CID 174549782) is 1,2-dimethoxycyclohexane;methoxycyclohexane.
What is the SMILES notation for 1,2-dimethoxycyclohexane;methoxycyclohexane?
The canonical SMILES for 1,2-dimethoxycyclohexane;methoxycyclohexane is COC1CCCCC1.COC1CCCCC1OC.
What is the InChIKey of 1,2-dimethoxycyclohexane;methoxycyclohexane?
The InChIKey is TXJQPAREXQVQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H14O/c1-9-7-5-3-4-6-8(7)10-2;1-8-7-5-3-2-4-6-7/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3.
What are the key properties of 1,2-dimethoxycyclohexane;methoxycyclohexane?
1,2-dimethoxycyclohexane;methoxycyclohexane has a molecular weight of 258.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxycyclohexane;methoxycyclohexane is sourced from PubChem (CID 174549782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).