1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane

C12H22O — CID 134995603

IUPAC1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane
SMILESCCOC1(C)CCC(=C(C)C)CC1
InChIInChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5-9H2,1-4H3
InChIKeyBAPOZGDNSADDQN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds2

About 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane

1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane (PubChem CID 134995603) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane.

Molecular Properties

Compound Name1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane
PubChem CID134995603
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane
SMILESCCOC1(C)CCC(=C(C)C)CC1
InChIInChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5-9H2,1-4H3
InChIKeyBAPOZGDNSADDQN-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
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

Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-
CID 117385
4-(Methoxymethyl)-1,2-dimethylcyclohexene
CID 13208452
1-Methyl-4-(2-propoxypropan-2-yl)cyclohex-1-ene
CID 12814399
4-(2-Butoxypropan-2-yl)-1-methylcyclohex-1-ene
CID 71357661
3,4-Dimethyl-1-oxaspiro[4.5]dec-3-ene
CID 58641851
3,5-diethyl-6-propyl-3,4-dihydro-2H-pyran
CID 59169071
7-Butoxybicyclo[4.1.0]hept-1(7)-ene
CID 70519800
4-(2-Butoxyethyl)-2-ethyl-1-methylcyclohexene
CID 70645263
3,4-Dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane
CID 90996286
4-Methoxy-1,2-dimethyl-4-propylcyclohexene
CID 118410142
6-Propan-2-ylidene-1-oxaspiro[2.5]octane
CID 118579377
1-(4-Bromobutoxy)-1-methyl-4-propan-2-ylidenecyclohexane
CID 139649162

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane?
The IUPAC name of 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane (CID 134995603) is 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane.
What is the SMILES notation for 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane?
The canonical SMILES for 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane is CCOC1(C)CCC(=C(C)C)CC1.
What is the InChIKey of 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane?
The InChIKey is BAPOZGDNSADDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5-9H2,1-4H3.
What are the key properties of 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane?
1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methyl-4-propan-2-ylidenecyclohexane is sourced from PubChem (CID 134995603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).