1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene

C12H18O — CID 175639848

IUPAC1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene
SMILESCC=CC1=CC=C(OC)CC1(C)C
InChIInChI=1S/C12H18O/c1-5-6-10-7-8-11(13-4)9-12(10,2)3/h5-8H,9H2,1-4H3
InChIKeyISYOOCYDZQBCGL-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.45
Rot. Bonds2

About 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene

1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene (PubChem CID 175639848) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene
PubChem CID175639848
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene
SMILESCC=CC1=CC=C(OC)CC1(C)C
InChIInChI=1S/C12H18O/c1-5-6-10-7-8-11(13-4)9-12(10,2)3/h5-8H,9H2,1-4H3
InChIKeyISYOOCYDZQBCGL-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Cyclohexadiene, 1-methoxy-4-methyl-
CID 10986221
4-Methoxy-1,2-dimethylcyclohexa-1,3-diene
CID 13087975
3,3-Dimethylanisol
CID 68229763
2-Fluoro-1-methoxy-5-methyl-5-propan-2-ylcyclohexa-1,3-diene
CID 130204418
CID 134899646
CID 134899646
1-Tert-butyl-5-methoxycyclohexa-1,4-diene
CID 343159
4-Methoxy-2-methyl-1,3-octadiene
CID 101634972
4-Methoxy-2-methylocta-1,3-diene
CID 155908408
1-Methoxy-2,4-dimethylcyclohexa-1,3-diene
CID 13418673
1-Tert-butyl-4-methoxycyclohexa-1,3-diene
CID 19880600
1-Ethoxy-3,5,5-trimethylcyclohexa-1,3-diene
CID 21565213
6-Ethyl-1-methoxycyclohexa-1,3-diene
CID 59679188

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene (CID 175639848) is 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene is CC=CC1=CC=C(OC)CC1(C)C.
What is the InChIKey of 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene?
The InChIKey is ISYOOCYDZQBCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-6-10-7-8-11(13-4)9-12(10,2)3/h5-8H,9H2,1-4H3.
What are the key properties of 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene?
1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene has a molecular weight of 178.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,5-dimethyl-4-prop-1-enylcyclohexa-1,3-diene is sourced from PubChem (CID 175639848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).