(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene

C14H16O — CID 135045326

IUPAC(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc/c1=C(\C)C1=C(OC)CC1
InChIInChI=1S/C14H16O/c1-10-6-4-5-7-12(10)11(2)13-8-9-14(13)15-3/h4-7H,1,8-9H2,2-3H3/b12-11-
InChIKeyHJDFNPAQPIZTBS-QXMHVHEDSA-N
MW200.28 g/mol
LogP1.96
Rot. Bonds2

About (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene

(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene (PubChem CID 135045326) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene
PubChem CID135045326
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc/c1=C(\C)C1=C(OC)CC1
InChIInChI=1S/C14H16O/c1-10-6-4-5-7-12(10)11(2)13-8-9-14(13)15-3/h4-7H,1,8-9H2,2-3H3/b12-11-
InChIKeyHJDFNPAQPIZTBS-QXMHVHEDSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1Z)-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanamine
CID 144734414
(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-ol
CID 88885211
(5Z)-5-[(2Z)-2-methoxy-3-methylpenta-2,4-dienylidene]-6-methylidenecyclohexa-1,3-diene
CID 142154594
methyl prop-2-enoate;prop-1-en-2-ylbenzene
CID 18185793
(2E,3E,5Z,7E)-7-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)nona-3,5,7-triene-4-thiol
CID 166826356
(5Z)-5-(1-cyclohexyl-3-methylbut-2-enylidene)-6-methylidenecyclohexa-1,3-diene
CID 143116178
methanol;3-methylbuta-1,3-dien-2-yloxybenzene
CID 157443112
(E,1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-ene-1,3-disulfonic acid
CID 166683104
1-methoxy-4-[(1E,3E,4Z)-3-(6-methylidenecyclohexa-2,4-dien-1-ylidene)hexa-1,4-dienyl]naphthalene
CID 89468170
(7Z)-5-methoxy-7-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-phenylnon-8-en-3-one
CID 143808423
3-methylbut-3-en-2-yloxybenzene
CID 564925
anisole;ethane;propan-2-one
CID 164986667

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene (CID 135045326) is (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene is C=c1cccc/c1=C(\C)C1=C(OC)CC1.
What is the InChIKey of (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene?
The InChIKey is HJDFNPAQPIZTBS-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H16O/c1-10-6-4-5-7-12(10)11(2)13-8-9-14(13)15-3/h4-7H,1,8-9H2,2-3H3/b12-11-.
What are the key properties of (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene?
(5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene has a molecular weight of 200.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(2-methoxycyclobuten-1-yl)ethylidene]-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 135045326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).