1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene

C10H14O — CID 144623760

IUPAC1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C/C1=CC=C(OC)CC1
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-5,7H,6,8H2,1-2H3/b4-3+
InChIKeyYIZNROFSJLXNHJ-ONEGZZNKSA-N
MW150.22 g/mol
LogP2.81
Rot. Bonds2

About 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene

1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 144623760) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID144623760
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C/C1=CC=C(OC)CC1
InChIInChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-5,7H,6,8H2,1-2H3/b4-3+
InChIKeyYIZNROFSJLXNHJ-ONEGZZNKSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]cyclohexa-1,3-dien-1-yl]benzene
CID 144688837
1-nitro-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 144623762
(4-methoxycyclohexa-1,3-dien-1-yl)methanethiol
CID 90961704
1-methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137248
ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene
CID 145138376
ethane;1-methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 142183376
4-methoxycyclohexa-1,3-diene-1-carboxamide
CID 19773130
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxycyclohexa-1,3-dien-1-yl)propan-2-yl]-4-methoxycyclohexa-1,3-diene
CID 167078970
1,5-dimethoxycyclohepta-1,4-diene
CID 156747546
1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine
CID 143025790

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene (CID 144623760) is 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene is C/C=C/C1=CC=C(OC)CC1.
What is the InChIKey of 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is YIZNROFSJLXNHJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-5,7H,6,8H2,1-2H3/b4-3+.
What are the key properties of 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 150.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 144623760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).