2-cycloheptyloxyoxane

C12H22O2 — CID 11735764

IUPAC2-cycloheptyloxyoxane
SMILESC1CCCC(OC2CCCCO2)CC1
InChIInChI=1S/C12H22O2/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13-12/h11-12H,1-10H2
InChIKeyWTACSCGINFRHPI-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.25
Rot. Bonds2

About 2-cycloheptyloxyoxane

2-cycloheptyloxyoxane (PubChem CID 11735764) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cycloheptyloxyoxane.

Molecular Properties

Compound Name2-cycloheptyloxyoxane
PubChem CID11735764
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-cycloheptyloxyoxane
SMILESC1CCCC(OC2CCCCO2)CC1
InChIInChI=1S/C12H22O2/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13-12/h11-12H,1-10H2
InChIKeyWTACSCGINFRHPI-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxetan-3-yloxy)oxane
CID 54083112
2-(4-methylidenecyclohexyl)oxyoxane
CID 15349885
cyclohexyl-[4-(oxan-2-yloxy)cyclohexyl]methanone
CID 140522461
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286
2-methoxyoxepane
CID 24974084
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
2-(7-bicyclo[2.2.1]hepta-2,5-dienyloxy)oxane
CID 131843933
(2S)-2-[[(1S,6S)-8-tricyclo[4.3.1.01,6]dec-3-enyl]oxy]oxane
CID 98518565
(4S)-4-(oxan-2-yloxy)oxolan-2-one
CID 139705709
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxyoxane?
The IUPAC name of 2-cycloheptyloxyoxane (CID 11735764) is 2-cycloheptyloxyoxane.
What is the SMILES notation for 2-cycloheptyloxyoxane?
The canonical SMILES for 2-cycloheptyloxyoxane is C1CCCC(OC2CCCCO2)CC1.
What is the InChIKey of 2-cycloheptyloxyoxane?
The InChIKey is WTACSCGINFRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13-12/h11-12H,1-10H2.
What are the key properties of 2-cycloheptyloxyoxane?
2-cycloheptyloxyoxane has a molecular weight of 198.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxyoxane is sourced from PubChem (CID 11735764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).