trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol

C10H20O3 — CID 130831888

IUPACtrans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol
SMILESCC[C@@H]1CCC(OC)(OC)[C@H](O)C1
InChIInChI=1S/C10H20O3/c1-4-8-5-6-10(12-2,13-3)9(11)7-8/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyITKNXHKHXLHQQF-RKDXNWHRSA-N
MW188.27 g/mol
LogP1.55
Rot. Bonds3

About trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol

trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol (PubChem CID 130831888) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol
PubChem CID130831888
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nametrans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol
SMILESCC[C@@H]1CCC(OC)(OC)[C@H](O)C1
InChIInChI=1S/C10H20O3/c1-4-8-5-6-10(12-2,13-3)9(11)7-8/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyITKNXHKHXLHQQF-RKDXNWHRSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-diethylcyclopentane
CID 530396
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
4-ethyl-1,1,2-trimethylcyclohexane
CID 91194488
1-(4-ethyl-1-methoxycyclohexyl)-N-methylmethanamine
CID 62108178
8-ethylspiro[4.5]decan-3-ol
CID 155331554
[1-(cyclopropylmethylamino)-4-ethylcyclohexyl]methanol
CID 61056029
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
1-(3,3-dimethoxyazetidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 79694845
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
CID 155331562

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol?
The IUPAC name of trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol (CID 130831888) is trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol is CC[C@@H]1CCC(OC)(OC)[C@H](O)C1.
What is the InChIKey of trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol?
The InChIKey is ITKNXHKHXLHQQF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-8-5-6-10(12-2,13-3)9(11)7-8/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol?
trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-5-ethyl-2,2-dimethoxycyclohexan-1-ol is sourced from PubChem (CID 130831888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).