2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene

C14H18O — CID 123581418

IUPAC2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene
SMILESCOC1C=C(CC2=CCCC=C2)C=CC1
InChIInChI=1S/C14H18O/c1-15-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h3,5-8,11,14H,2,4,9-10H2,1H3
InChIKeyJZANESMHXPJLPW-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.55
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene

2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene (PubChem CID 123581418) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene
PubChem CID123581418
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene
SMILESCOC1C=C(CC2=CCCC=C2)C=CC1
InChIInChI=1S/C14H18O/c1-15-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h3,5-8,11,14H,2,4,9-10H2,1H3
InChIKeyJZANESMHXPJLPW-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 146989399
6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
CID 144964238
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
5-[2,2-difluoro-2-(3-methoxycyclohexa-1,5-dien-1-yl)ethyl]-1,2,3-trimethoxybenzene
CID 174973970
cyclohexa-1,5-dien-1-ylmethyl methanesulfonate
CID 163680872
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
CID 145359118
CID 145359118
2-[2-(disulfanyl)propan-2-yl]cyclohexa-1,3-diene
CID 144619532
2-cyclohexa-1,5-dien-1-ylethanethiol
CID 143709620
4-cyclohexa-1,5-dien-1-yl-3-methoxybutan-1-amine
CID 143109891
2-cyclohexa-1,5-dien-1-ylethyl 2,2-dimethylpropanoate
CID 91165512
2-(cyclohexa-1,5-dien-1-ylmethyl)-1,1-dimethylhydrazine
CID 170005983

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene (CID 123581418) is 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene is COC1C=C(CC2=CCCC=C2)C=CC1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene?
The InChIKey is JZANESMHXPJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-15-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h3,5-8,11,14H,2,4,9-10H2,1H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene?
2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene has a molecular weight of 202.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 123581418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).