[(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane

C16H30O2 — CID 172635704

IUPAC[(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
SMILESCO[C@@H](C1CCCCC1)[C@@H](OC)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyNHKIAEVISIIKAM-HOTGVXAUSA-N
MW254.41 g/mol
LogP4.18
Rot. Bonds5

About [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane

[(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane (PubChem CID 172635704) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane.

Molecular Properties

Compound Name[(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
PubChem CID172635704
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
SMILESCO[C@@H](C1CCCCC1)[C@@H](OC)C1CCCCC1
InChIInChI=1S/C16H30O2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyNHKIAEVISIIKAM-HOTGVXAUSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylcyclohexylmethylether
CID 21252154
Cyclohexyl 1,2-dimethoxyethane
CID 23183239
4-Methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane
CID 70268995
Cyclohexane, 1-methoxy-2-[(2-methylcyclohexyl)oxy]-
CID 487542
[(1R)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane
CID 135036831
(4R,5R)-4,5-dicyclohexyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 135048199
1-(Cyclohexylmethyl)-3-methoxycyclohexane
CID 101551564
1-Cyclohexyl-2-methoxycyclohexane
CID 228978
Cyclohexyl dioxane
CID 13978129
2,3-Dicyclohexyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14178470
1-(2-Methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 14439038
1-Methyl-4-[2-(4-methylcyclohexyl)oxyethoxy]cyclohexane
CID 14915886

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane?
The IUPAC name of [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane (CID 172635704) is [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane.
What is the SMILES notation for [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane?
The canonical SMILES for [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane is CO[C@@H](C1CCCCC1)[C@@H](OC)C1CCCCC1.
What is the InChIKey of [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane?
The InChIKey is NHKIAEVISIIKAM-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H30O2/c1-17-15(13-9-5-3-6-10-13)16(18-2)14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane?
[(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane has a molecular weight of 254.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-cyclohexyl-1,2-dimethoxyethyl]cyclohexane is sourced from PubChem (CID 172635704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).