1,2-dimethoxycycloocta-1,5-diene

C10H16O2 — CID 57217200

IUPAC1,2-dimethoxycycloocta-1,5-diene
SMILESCOC1=C(OC)CCC=CCC1
InChIInChI=1S/C10H16O2/c1-11-9-7-5-3-4-6-8-10(9)12-2/h3-4H,5-8H2,1-2H3
InChIKeyOLVQNTYEZZFAMD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.62
Rot. Bonds2

About 1,2-dimethoxycycloocta-1,5-diene

1,2-dimethoxycycloocta-1,5-diene (PubChem CID 57217200) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,2-dimethoxycycloocta-1,5-diene.

Molecular Properties

Compound Name1,2-dimethoxycycloocta-1,5-diene
PubChem CID57217200
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1,2-dimethoxycycloocta-1,5-diene
SMILESCOC1=C(OC)CCC=CCC1
InChIInChI=1S/C10H16O2/c1-11-9-7-5-3-4-6-8-10(9)12-2/h3-4H,5-8H2,1-2H3
InChIKeyOLVQNTYEZZFAMD-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1,3-dimethoxycyclohexa-1,3-diene
CID 166723176
N-[(2-methoxycyclohexa-1,5-dien-1-yl)methyl]ethanamine
CID 165142320
(4Z)-8-methoxy-2,3,6,7-tetrahydroazocine
CID 59656170
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
2-methoxycyclobuten-1-amine
CID 154177814
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
2-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
2-propan-2-yloxycyclohexa-1,5-dien-1-ol
CID 146937661
2-(2-ethoxycyclohexa-1,5-dien-1-yl)pyrimidine
CID 173147914
(E)-N-methoxycyclopent-2-en-1-imine
CID 89026558
1,2-bis(but-2-enyl)cycloocta-1,5-diene
CID 173112409
8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline
CID 89302536

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxycycloocta-1,5-diene?
The IUPAC name of 1,2-dimethoxycycloocta-1,5-diene (CID 57217200) is 1,2-dimethoxycycloocta-1,5-diene.
What is the SMILES notation for 1,2-dimethoxycycloocta-1,5-diene?
The canonical SMILES for 1,2-dimethoxycycloocta-1,5-diene is COC1=C(OC)CCC=CCC1.
What is the InChIKey of 1,2-dimethoxycycloocta-1,5-diene?
The InChIKey is OLVQNTYEZZFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-9-7-5-3-4-6-8-10(9)12-2/h3-4H,5-8H2,1-2H3.
What are the key properties of 1,2-dimethoxycycloocta-1,5-diene?
1,2-dimethoxycycloocta-1,5-diene has a molecular weight of 168.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxycycloocta-1,5-diene is sourced from PubChem (CID 57217200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).