carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene

C14H18O2 — CID 123742009

IUPACcarbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
SMILESC[C@H]1CCCC[C@@H]1c1ccccc1.O=C=O
InChIInChI=1S/C13H18.CO2/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2-1-3/h2-4,8-9,11,13H,5-7,10H2,1H3;/t11-,13-;/m0./s1
InChIKeyQZUHHDUFQGZRPA-JZKFLRDJSA-N
MW218.30 g/mol
LogP3.40
Rot. Bonds1

About carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene

carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene (PubChem CID 123742009) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene.

Molecular Properties

Compound Namecarbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
PubChem CID123742009
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namecarbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
SMILESC[C@H]1CCCC[C@@H]1c1ccccc1.O=C=O
InChIInChI=1S/C13H18.CO2/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2-1-3/h2-4,8-9,11,13H,5-7,10H2,1H3;/t11-,13-;/m0./s1
InChIKeyQZUHHDUFQGZRPA-JZKFLRDJSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylcyclopentyl)benzene
CID 12600454
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
methane;bis((2-methylcyclopentyl)benzene);tris(1-methyl-2-phenylbenzene)
CID 162268984
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
3-(2-methylcyclopentyl)aniline
CID 165463165
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
trifluoro-(2-phenylcyclohexyl)boranuide
CID 102399053
N-(2,3-dimethylcyclopentyl)-2-phenylcyclohexan-1-amine
CID 64909961
1-(2-phenylcyclohexyl)but-2-yn-1-one
CID 170051138
carbon dioxide;(3R,4S)-3-methyl-4-phenylpyrrolidin-2-one
CID 160728720

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene?
The IUPAC name of carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene (CID 123742009) is carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene.
What is the SMILES notation for carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene?
The canonical SMILES for carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene is C[C@H]1CCCC[C@@H]1c1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene?
The InChIKey is QZUHHDUFQGZRPA-JZKFLRDJSA-N. The full InChI is InChI=1S/C13H18.CO2/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2-1-3/h2-4,8-9,11,13H,5-7,10H2,1H3;/t11-,13-;/m0./s1.
What are the key properties of carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene?
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene has a molecular weight of 218.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene is sourced from PubChem (CID 123742009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).