(2S)-2-ethoxy-1,1-dimethylcyclohexane

C10H20O — CID 101096766

IUPAC(2S)-2-ethoxy-1,1-dimethylcyclohexane
SMILESCCO[C@H]1CCCCC1(C)C
InChIInChI=1S/C10H20O/c1-4-11-9-7-5-6-8-10(9,2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyXESJGQGFTRCYBQ-VIFPVBQESA-N
MW156.27 g/mol
LogP2.99
Rot. Bonds2

About (2S)-2-ethoxy-1,1-dimethylcyclohexane

(2S)-2-ethoxy-1,1-dimethylcyclohexane (PubChem CID 101096766) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S)-2-ethoxy-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name(2S)-2-ethoxy-1,1-dimethylcyclohexane
PubChem CID101096766
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(2S)-2-ethoxy-1,1-dimethylcyclohexane
SMILESCCO[C@H]1CCCCC1(C)C
InChIInChI=1S/C10H20O/c1-4-11-9-7-5-6-8-10(9,2)3/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyXESJGQGFTRCYBQ-VIFPVBQESA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclohexan-1-amine
CID 79861665
1-(chloromethyl)-2-ethoxycyclohexan-1-ol
CID 140525634
O-(2,2-dimethylcyclopentyl)hydroxylamine
CID 134461994
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
3-bromo-1-ethoxyspiro[3.4]octane
CID 66346132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-1,1-dimethylcyclohexane?
The IUPAC name of (2S)-2-ethoxy-1,1-dimethylcyclohexane (CID 101096766) is (2S)-2-ethoxy-1,1-dimethylcyclohexane.
What is the SMILES notation for (2S)-2-ethoxy-1,1-dimethylcyclohexane?
The canonical SMILES for (2S)-2-ethoxy-1,1-dimethylcyclohexane is CCO[C@H]1CCCCC1(C)C.
What is the InChIKey of (2S)-2-ethoxy-1,1-dimethylcyclohexane?
The InChIKey is XESJGQGFTRCYBQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O/c1-4-11-9-7-5-6-8-10(9,2)3/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-ethoxy-1,1-dimethylcyclohexane?
(2S)-2-ethoxy-1,1-dimethylcyclohexane has a molecular weight of 156.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-1,1-dimethylcyclohexane is sourced from PubChem (CID 101096766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).