3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol

C13H24O2 — CID 10242299

IUPAC3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol
SMILESC=C(OCC)C(C)(O)C1CCC(C)CC1
InChIInChI=1S/C13H24O2/c1-5-15-11(3)13(4,14)12-8-6-10(2)7-9-12/h10,12,14H,3,5-9H2,1-2,4H3
InChIKeyNYSROMTXZDPUJJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.11
Rot. Bonds4

About 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol

3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol (PubChem CID 10242299) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol.

Molecular Properties

Compound Name3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol
PubChem CID10242299
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol
SMILESC=C(OCC)C(C)(O)C1CCC(C)CC1
InChIInChI=1S/C13H24O2/c1-5-15-11(3)13(4,14)12-8-6-10(2)7-9-12/h10,12,14H,3,5-9H2,1-2,4H3
InChIKeyNYSROMTXZDPUJJ-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylcyclohexyl)pentan-2-ol
CID 80557496
1-amino-2-(4-methylcyclohexyl)propan-2-ol
CID 66039594
ethyl 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
3-aminoprop-1-en-2-ol;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530936
ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
CID 79298134
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691
1-(3-ethyl-5-methylhex-5-en-3-yl)-4-methylcyclohexane
CID 90899580
1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 70917025
1-O-ethyl 3-O-[[4-[2-[(4-methylcyclohexyl)methoxycarbonyl]prop-2-enoyloxymethyl]cyclohexyl]methyl] 2-methylidenepropanedioate
CID 130278851
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol?
The IUPAC name of 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol (CID 10242299) is 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol.
What is the SMILES notation for 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol?
The canonical SMILES for 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol is C=C(OCC)C(C)(O)C1CCC(C)CC1.
What is the InChIKey of 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol?
The InChIKey is NYSROMTXZDPUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-15-11(3)13(4,14)12-8-6-10(2)7-9-12/h10,12,14H,3,5-9H2,1-2,4H3.
What are the key properties of 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol?
3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol has a molecular weight of 212.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(4-methylcyclohexyl)but-3-en-2-ol is sourced from PubChem (CID 10242299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).