1,3-bis(2-methylpropoxy)cyclohexane

C14H28O2 — CID 142724775

IUPAC1,3-bis(2-methylpropoxy)cyclohexane
SMILESCC(C)COC1CCCC(OCC(C)C)C1
InChIInChI=1S/C14H28O2/c1-11(2)9-15-13-6-5-7-14(8-13)16-10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyWLONSPHVLPQBBG-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.64
Rot. Bonds6

About 1,3-bis(2-methylpropoxy)cyclohexane

1,3-bis(2-methylpropoxy)cyclohexane (PubChem CID 142724775) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,3-bis(2-methylpropoxy)cyclohexane.

Molecular Properties

Compound Name1,3-bis(2-methylpropoxy)cyclohexane
PubChem CID142724775
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,3-bis(2-methylpropoxy)cyclohexane
SMILESCC(C)COC1CCCC(OCC(C)C)C1
InChIInChI=1S/C14H28O2/c1-11(2)9-15-13-6-5-7-14(8-13)16-10-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyWLONSPHVLPQBBG-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(2-methylpropoxy)cyclohexan-1-amine
CID 79618009
3-(2-methylpropoxy)cyclopentan-1-ol
CID 18953130
1-methyl-3-(2-methylpropoxy)piperidine
CID 155123264
1-[2-(bromomethyl)butoxy]-3-methoxycyclohexane
CID 65000321
3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
CID 103074781
1-cyclododecyloxypropan-2-ol
CID 54403914
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane
CID 19099396
[4-(2-methylpropoxy)cyclohexyl]methanamine
CID 83828871
3-cyclopentyloxy-2-methylpropan-1-amine
CID 43367941

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpropoxy)cyclohexane?
The IUPAC name of 1,3-bis(2-methylpropoxy)cyclohexane (CID 142724775) is 1,3-bis(2-methylpropoxy)cyclohexane.
What is the SMILES notation for 1,3-bis(2-methylpropoxy)cyclohexane?
The canonical SMILES for 1,3-bis(2-methylpropoxy)cyclohexane is CC(C)COC1CCCC(OCC(C)C)C1.
What is the InChIKey of 1,3-bis(2-methylpropoxy)cyclohexane?
The InChIKey is WLONSPHVLPQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)9-15-13-6-5-7-14(8-13)16-10-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,3-bis(2-methylpropoxy)cyclohexane?
1,3-bis(2-methylpropoxy)cyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpropoxy)cyclohexane is sourced from PubChem (CID 142724775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).