1-methoxy-5-propan-2-ylcyclohexa-1,3-diene

C10H16O — CID 145017511

IUPAC1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=CC=CC(C(C)C)C1
InChIInChI=1S/C10H16O/c1-8(2)9-5-4-6-10(7-9)11-3/h4-6,8-9H,7H2,1-3H3
InChIKeyMTVFTRXWQGZIJJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.75
Rot. Bonds2

About 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene

1-methoxy-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 145017511) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID145017511
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=CC=CC(C(C)C)C1
InChIInChI=1S/C10H16O/c1-8(2)9-5-4-6-10(7-9)11-3/h4-6,8-9H,7H2,1-3H3
InChIKeyMTVFTRXWQGZIJJ-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
5-chloro-1-methoxycyclohexa-1,3-diene
CID 22747502
methyl 5-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
CID 123847160
trimethyl-[(5S)-5-propan-2-ylcyclohepta-1,3-dien-1-yl]oxysilane
CID 11322076
3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)furan
CID 167222828
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
1-ethoxy-5-methoxycyclohexa-1,3-diene
CID 173070219
4-methoxycyclohex-4-ene-1,2-diol
CID 89358847
5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene
CID 169445508
4-methoxy-2,7-dimethyl-2,3-dihydro-1H-azepine
CID 166779740
1-(2-methoxy-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-methylimidazole
CID 163419103
methyl 5-(dicyanomethyl)cyclohexa-1,3-diene-1-carboxylate
CID 13445040

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene (CID 145017511) is 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene is COC1=CC=CC(C(C)C)C1.
What is the InChIKey of 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is MTVFTRXWQGZIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9-5-4-6-10(7-9)11-3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
1-methoxy-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 145017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).