methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate

C23H40O2 — CID 142077362

IUPACmethane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate
SMILESC.C=C(C)C.CC1=CCCC(CCc2ccccc2)=C1.CCOC.O
InChIInChI=1S/C15H18.C4H8.C3H8O.CH4.H2O/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14;1-4(2)3;1-3-4-2;;/h2-4,6-8,12H,5,9-11H2,1H3;1H2,2-3H3;3H2,1-2H3;1H4;1H2
InChIKeyQAERVLUWKYOYGC-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.33
Rot. Bonds4

About methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate

methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate (PubChem CID 142077362) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate.

Molecular Properties

Compound Namemethane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate
PubChem CID142077362
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Namemethane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate
SMILESC.C=C(C)C.CC1=CCCC(CCc2ccccc2)=C1.CCOC.O
InChIInChI=1S/C15H18.C4H8.C3H8O.CH4.H2O/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14;1-4(2)3;1-3-4-2;;/h2-4,6-8,12H,5,9-11H2,1H3;1H2,2-3H3;3H2,1-2H3;1H4;1H2
InChIKeyQAERVLUWKYOYGC-UHFFFAOYSA-N
XLogP6.33
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
ethylbenzene;methoxyethane
CID 90842646
2-methyl-4-(2-phenylethyl)-3H-pyrrole
CID 58034215
ethane;methane;2-phenylethylbenzene
CID 158652330
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
1-ethoxy-3-methylcyclohexa-1,3-diene
CID 21315553
benzene;methane;methoxyethane
CID 158141327
benzene;2-phenylethylbenzene
CID 18982764
2-methoxyethylbenzene
CID 19089
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
3-methoxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-phenylethyl)phenol
CID 164818433

Frequently Asked Questions

What is the IUPAC name of methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate?
The IUPAC name of methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate (CID 142077362) is methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate.
What is the SMILES notation for methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate?
The canonical SMILES for methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate is C.C=C(C)C.CC1=CCCC(CCc2ccccc2)=C1.CCOC.O.
What is the InChIKey of methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate?
The InChIKey is QAERVLUWKYOYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C4H8.C3H8O.CH4.H2O/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14;1-4(2)3;1-3-4-2;;/h2-4,6-8,12H,5,9-11H2,1H3;1H2,2-3H3;3H2,1-2H3;1H4;1H2.
What are the key properties of methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate?
methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate has a molecular weight of 348.57 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate is sourced from PubChem (CID 142077362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).