2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol

C14H26O2 — CID 59054889

IUPAC2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
SMILESCC(C)=CCO[C@H]1CCC[C@@](C)(CCO)C1
InChIInChI=1S/C14H26O2/c1-12(2)6-10-16-13-5-4-7-14(3,11-13)8-9-15/h6,13,15H,4-5,7-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyAJWJJZAWSOSLRT-KBPBESRZSA-N
MW226.36 g/mol
LogP3.30
Rot. Bonds5

About 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol

2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol (PubChem CID 59054889) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
PubChem CID59054889
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol
SMILESCC(C)=CCO[C@H]1CCC[C@@](C)(CCO)C1
InChIInChI=1S/C14H26O2/c1-12(2)6-10-16-13-5-4-7-14(3,11-13)8-9-15/h6,13,15H,4-5,7-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyAJWJJZAWSOSLRT-KBPBESRZSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol?
The IUPAC name of 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol (CID 59054889) is 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol.
What is the SMILES notation for 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol?
The canonical SMILES for 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol is CC(C)=CCO[C@H]1CCC[C@@](C)(CCO)C1.
What is the InChIKey of 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol?
The InChIKey is AJWJJZAWSOSLRT-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)6-10-16-13-5-4-7-14(3,11-13)8-9-15/h6,13,15H,4-5,7-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol?
2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-1-methyl-3-(3-methylbut-2-enoxy)cyclohexyl]ethanol is sourced from PubChem (CID 59054889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).