cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane

C12H24O — CID 10261806

IUPACcis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
SMILESCCO[C@H]1CCC[C@@H](CC(C)C)C1
InChIInChI=1S/C12H24O/c1-4-13-12-7-5-6-11(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyOZQATMOULRJAOL-RYUDHWBXSA-N
MW184.32 g/mol
LogP3.63
Rot. Bonds4

About cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane

cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane (PubChem CID 10261806) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Namecis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
PubChem CID10261806
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namecis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
SMILESCCO[C@H]1CCC[C@@H](CC(C)C)C1
InChIInChI=1S/C12H24O/c1-4-13-12-7-5-6-11(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyOZQATMOULRJAOL-RYUDHWBXSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 142638254
1-(3-methoxycyclohexyl)propan-2-ol
CID 79424348
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371
1-[3-(2-methylpropyl)cyclohexyl]ethanone
CID 107430523
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
methane;2-methylpropylcyclopentane
CID 161254337
ethoxycyclooctane
CID 13427982
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane?
The IUPAC name of cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane (CID 10261806) is cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane.
What is the SMILES notation for cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane?
The canonical SMILES for cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane is CCO[C@H]1CCC[C@@H](CC(C)C)C1.
What is the InChIKey of cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane?
The InChIKey is OZQATMOULRJAOL-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24O/c1-4-13-12-7-5-6-11(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane?
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 10261806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).