(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene

C14H16O — CID 142154594

IUPAC(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=C/C(C)=C(/C=c1/ccccc1=C)OC
InChIInChI=1S/C14H16O/c1-5-11(2)14(15-4)10-13-9-7-6-8-12(13)3/h5-10H,1,3H2,2,4H3/b13-10-,14-11-
InChIKeyBQRZLXMYRLGMAP-WGYBXSNTSA-N
MW200.28 g/mol
LogP1.98
Rot. Bonds3

About (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene

(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene (PubChem CID 142154594) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
PubChem CID142154594
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=C/C(C)=C(/C=c1/ccccc1=C)OC
InChIInChI=1S/C14H16O/c1-5-11(2)14(15-4)10-13-9-7-6-8-12(13)3/h5-10H,1,3H2,2,4H3/b13-10-,14-11-
InChIKeyBQRZLXMYRLGMAP-WGYBXSNTSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-3-phenylprop-2-enoate
CID 138983109
(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 59733889
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)propan-2-ol
CID 134983494
(6E)-6-(1-methoxyprop-2-enylidene)-1-methyl-5-methylidenecyclohexa-1,3-diene
CID 142213123
(6Z)-5-methylidene-6-[(Z)-3-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143026657
5-(iodomethylidene)-6-methylidenecyclohexa-1,3-diene
CID 159580103
2-methylbuta-1,3-diene;naphthalene
CID 159864264
ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
CID 143906186
methyl prop-2-enoate;prop-1-en-2-ylbenzene
CID 18185793
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083
ethane;(6Z)-5-methylidene-6-propylidenecyclohexa-1,3-diene
CID 145022062
(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene
CID 135045326

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene (CID 142154594) is (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene is C=C/C(C)=C(/C=c1/ccccc1=C)OC.
What is the InChIKey of (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene?
The InChIKey is BQRZLXMYRLGMAP-WGYBXSNTSA-N. The full InChI is InChI=1S/C14H16O/c1-5-11(2)14(15-4)10-13-9-7-6-8-12(13)3/h5-10H,1,3H2,2,4H3/b13-10-,14-11-.
What are the key properties of (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene?
(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene has a molecular weight of 200.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 142154594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).