4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene

C12H20O — CID 178118195

IUPAC4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
SMILESCCC1=CC(OC)=C(C(C)C)CC1
InChIInChI=1S/C12H20O/c1-5-10-6-7-11(9(2)3)12(8-10)13-4/h8-9H,5-7H2,1-4H3
InChIKeyHAUKJRJESXZXCN-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.67
Rot. Bonds3

About 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene

4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene (PubChem CID 178118195) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
PubChem CID178118195
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
SMILESCCC1=CC(OC)=C(C(C)C)CC1
InChIInChI=1S/C12H20O/c1-5-10-6-7-11(9(2)3)12(8-10)13-4/h8-9H,5-7H2,1-4H3
InChIKeyHAUKJRJESXZXCN-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol
CID 89393276
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
CID 146506417
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol
CID 143297281
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
6-ethyl-2-propan-2-yl-7,8-dihydroimidazo[1,2-a]pyridine
CID 167032506
5-ethyl-6-fluoro-2-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 172585884
4-ethyl-2,3-dihydro-1H-pyridin-6-one
CID 89096118
1-but-3-yn-2-yl-4-ethylcyclohexa-1,3-diene
CID 170621382
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene (CID 178118195) is 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene is CCC1=CC(OC)=C(C(C)C)CC1.
What is the InChIKey of 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is HAUKJRJESXZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-10-6-7-11(9(2)3)12(8-10)13-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene?
4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 178118195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).