(5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene

C15H20O — CID 70301475

IUPAC(5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene
SMILESC/C(COC1=CCCCC1)=C1/C=CC=CC1
InChIInChI=1S/C15H20O/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2,4-5,8,10H,3,6-7,9,11-12H2,1H3/b14-13+
InChIKeyHTSBUEZCFHQRPH-BUHFOSPRSA-N
MW216.32 g/mol
LogP4.29
Rot. Bonds3

About (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene

(5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene (PubChem CID 70301475) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene
PubChem CID70301475
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene
SMILESC/C(COC1=CCCCC1)=C1/C=CC=CC1
InChIInChI=1S/C15H20O/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2,4-5,8,10H,3,6-7,9,11-12H2,1H3/b14-13+
InChIKeyHTSBUEZCFHQRPH-BUHFOSPRSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
1-(1-Butoxyethenyl)cyclopentene
CID 14296313
7-Tetrahydrobenzofuran
CID 17799099
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
3-methyl-2-octyl-2H-pyran
CID 85787136
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
Tetrahydrodibenzo[b,d]pyran
CID 87780992
7,8-Dihydrochromene
CID 143029736
5,6,7,8-Tetrahydro benzopyran
CID 155801680
(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene
CID 69346340

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene?
The IUPAC name of (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene (CID 70301475) is (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene.
What is the SMILES notation for (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene?
The canonical SMILES for (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene is C/C(COC1=CCCCC1)=C1/C=CC=CC1.
What is the InChIKey of (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene?
The InChIKey is HTSBUEZCFHQRPH-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H20O/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2,4-5,8,10H,3,6-7,9,11-12H2,1H3/b14-13+.
What are the key properties of (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene?
(5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene has a molecular weight of 216.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(cyclohexen-1-yloxy)propan-2-ylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 70301475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).