1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane

C12H20O — CID 178166362

IUPAC1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC=C(OC2CC2)CC1
InChIInChI=1S/C10H14O.C2H6/c1-8-2-4-9(5-3-8)11-10-6-7-10;1-2/h2,4,10H,3,5-7H2,1H3;1-2H3
InChIKeyCCYCMKFFAHQSDB-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.82
Rot. Bonds2

About 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane

1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane (PubChem CID 178166362) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane
PubChem CID178166362
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=CC=C(OC2CC2)CC1
InChIInChI=1S/C10H14O.C2H6/c1-8-2-4-9(5-3-8)11-10-6-7-10;1-2/h2,4,10H,3,5-7H2,1H3;1-2H3
InChIKeyCCYCMKFFAHQSDB-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-propan-2-yloxycyclohexa-1,3-diene
CID 144799120
1-methyl-4-propoxycyclohexa-1,3-diene
CID 90360498
(4-methylcyclohexyl) 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 163725356
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
ethane;4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol
CID 145198245
1-cyclohexyl-4-methylcyclohexa-1,3-diene;methane
CID 144632405
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
4-[(1-methyl-6-propan-2-yl-2H-pyridin-3-yl)oxy]cyclohexan-1-ol
CID 145198246
ethane;3-[4-(hydroxymethyl)cyclohexa-1,3-dien-1-yl]oxycyclobutan-1-ol;methyl selenocyanate
CID 176710118
ethane;(2Z)-2-(methylamino)-4-(4-methylcyclohexa-1,3-dien-1-yl)oxypenta-2,4-dienamide
CID 142007361
ethane;2-(8-ethoxyoctyl)-4-methoxy-1-methylcyclohexa-1,3-diene
CID 143806673

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane?
The IUPAC name of 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane (CID 178166362) is 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane is CC.CC1=CC=C(OC2CC2)CC1.
What is the InChIKey of 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane?
The InChIKey is CCYCMKFFAHQSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-8-2-4-9(5-3-8)11-10-6-7-10;1-2/h2,4,10H,3,5-7H2,1H3;1-2H3.
What are the key properties of 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane?
1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane has a molecular weight of 180.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-methylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 178166362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).