2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol

C13H22O2 — CID 139395239

IUPAC2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol
SMILESCC(C)=CCOC1=CCC(CCO)CC1
InChIInChI=1S/C13H22O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyDKYAUUUKXOTPOA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol

2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol (PubChem CID 139395239) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol
PubChem CID139395239
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol
SMILESCC(C)=CCOC1=CCC(CCO)CC1
InChIInChI=1S/C13H22O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3
InChIKeyDKYAUUUKXOTPOA-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-3-(ethoxymethyl)-6-propan-2-ylcyclohex-2-en-1-ol
CID 163195673
Methoxy-citronellol
CID 86733558
(E)-3-[[(1R)-cyclohex-2-en-1-yl]methoxy]-2-ethyl-4-fluorobut-2-en-1-ol
CID 71277070
(6Z,8E)-8-ethoxy-6,7-difluoro-4-methyl-5-methylideneundeca-6,8-dien-1-ol
CID 134447520
3-(3-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)propan-1-ol
CID 149055219
Tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-2H-pyran-4-ol
CID 58535189
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxycyclohexen-1-ol
CID 163755154
(2R,4R)-4-[(4S)-4-methylcyclohexen-1-yl]oxypentan-2-ol
CID 13584041
(2R,4R)-4-[(4R)-4-methylcyclohexen-1-yl]oxypentan-2-ol
CID 13584042
(2R,4R)-4-[(6R)-6-methylcyclohexen-1-yl]oxypentan-2-ol
CID 71423337
2-(4-Methoxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 121223424
(1S,5R)-2-(prop-2-enoxymethyl)-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 135038762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol (CID 139395239) is 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol is CC(C)=CCOC1=CCC(CCO)CC1.
What is the InChIKey of 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol?
The InChIKey is DKYAUUUKXOTPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h5,8,12,14H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol?
2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol has a molecular weight of 210.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbut-2-enoxy)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 139395239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).