carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane

C16H32O5 — CID 162180777

IUPACcarbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane
SMILESC.C1CCC2OC2C1.CC1CCCCC1O.CO.O=C=O
InChIInChI=1S/C7H14O.C6H10O.CO2.CH4O.CH4/c1-6-4-2-3-5-7(6)8;1-2-4-6-5(3-1)7-6;2-1-3;1-2;/h6-8H,2-5H2,1H3;5-6H,1-4H2;;2H,1H3;1H4
InChIKeyZOZGVDBOEZQJLL-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.55
Rot. Bonds

About carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane

carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane (PubChem CID 162180777) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Namecarbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane
PubChem CID162180777
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namecarbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane
SMILESC.C1CCC2OC2C1.CC1CCCCC1O.CO.O=C=O
InChIInChI=1S/C7H14O.C6H10O.CO2.CH4O.CH4/c1-6-4-2-3-5-7(6)8;1-2-4-6-5(3-1)7-6;2-1-3;1-2;/h6-8H,2-5H2,1H3;5-6H,1-4H2;;2H,1H3;1H4
InChIKeyZOZGVDBOEZQJLL-UHFFFAOYSA-N
XLogP2.55
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
2-methylcyclododecan-1-ol
CID 13130078
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
CID 161153214
CID 161153214
acetic acid;2-methylcyclopentan-1-ol
CID 71356720
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
3-(1-methoxypropan-2-yl)-7-oxabicyclo[4.1.0]heptane;2-methylcyclohexan-1-ol
CID 90832239
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
25-oxabicyclo[22.1.0]pentacosane
CID 156633217

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane?
The IUPAC name of carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane (CID 162180777) is carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane is C.C1CCC2OC2C1.CC1CCCCC1O.CO.O=C=O.
What is the InChIKey of carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane?
The InChIKey is ZOZGVDBOEZQJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H10O.CO2.CH4O.CH4/c1-6-4-2-3-5-7(6)8;1-2-4-6-5(3-1)7-6;2-1-3;1-2;/h6-8H,2-5H2,1H3;5-6H,1-4H2;;2H,1H3;1H4.
What are the key properties of carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane?
carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane has a molecular weight of 304.43 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 162180777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).