bis(2-cyclohexyloxyethyl) carbonate

C17H30O5 — CID 139670101

IUPACbis(2-cyclohexyloxyethyl) carbonate
SMILESO=C(OCCOC1CCCCC1)OCCOC1CCCCC1
InChIInChI=1S/C17H30O5/c18-17(21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h15-16H,1-14H2
InChIKeyDRGMDJBHNSPSAN-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.84
Rot. Bonds8

About bis(2-cyclohexyloxyethyl) carbonate

bis(2-cyclohexyloxyethyl) carbonate (PubChem CID 139670101) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is bis(2-cyclohexyloxyethyl) carbonate.

Molecular Properties

Compound Namebis(2-cyclohexyloxyethyl) carbonate
PubChem CID139670101
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Namebis(2-cyclohexyloxyethyl) carbonate
SMILESO=C(OCCOC1CCCCC1)OCCOC1CCCCC1
InChIInChI=1S/C17H30O5/c18-17(21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h15-16H,1-14H2
InChIKeyDRGMDJBHNSPSAN-UHFFFAOYSA-N
XLogP3.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
2-methoxyethoxycyclohexane
CID 20550469
2-cyclopentyloxyethyl 2-(thiolan-1-ium-1-yl)acetate
CID 58780050
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
3-cyclopentyloxypropanoic acid
CID 24706641
2-amino-4-cycloheptyloxybutanamide
CID 63039802
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
6-cycloheptyloxyhexan-2-one
CID 61069930
2-chloroethyl cyclohexylmethyl carbonate
CID 91697688
nonyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892346

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclohexyloxyethyl) carbonate?
The IUPAC name of bis(2-cyclohexyloxyethyl) carbonate (CID 139670101) is bis(2-cyclohexyloxyethyl) carbonate.
What is the SMILES notation for bis(2-cyclohexyloxyethyl) carbonate?
The canonical SMILES for bis(2-cyclohexyloxyethyl) carbonate is O=C(OCCOC1CCCCC1)OCCOC1CCCCC1.
What is the InChIKey of bis(2-cyclohexyloxyethyl) carbonate?
The InChIKey is DRGMDJBHNSPSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5/c18-17(21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h15-16H,1-14H2.
What are the key properties of bis(2-cyclohexyloxyethyl) carbonate?
bis(2-cyclohexyloxyethyl) carbonate has a molecular weight of 314.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclohexyloxyethyl) carbonate is sourced from PubChem (CID 139670101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).