ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane

C28H44O2 — CID 144524510

IUPACethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane
SMILESC=C.C=C.CCC.CCC.OC1=CC=C(C2=CC=C(C3=CC=C(O)CC3)CC2)CC1
InChIInChI=1S/C18H20O2.2C3H8.2C2H4/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;2*1-3-2;2*1-2/h1-2,5,7,9,11,19-20H,3-4,6,8,10,12H2;2*3H2,1-2H3;2*1-2H2
InChIKeyMZTIEFFSHWFAGC-UHFFFAOYSA-N
MW412.66 g/mol
LogP9.39
Rot. Bonds2

About ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane

ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane (PubChem CID 144524510) has the molecular formula C28H44O2 and a molecular weight of 412.66 g/mol. Its IUPAC name is ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane.

Molecular Properties

Compound Nameethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane
PubChem CID144524510
Molecular FormulaC28H44O2
Molecular Weight412.66 g/mol
Exact Mass412.33
IUPAC Nameethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane
SMILESC=C.C=C.CCC.CCC.OC1=CC=C(C2=CC=C(C3=CC=C(O)CC3)CC2)CC1
InChIInChI=1S/C18H20O2.2C3H8.2C2H4/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;2*1-3-2;2*1-2/h1-2,5,7,9,11,19-20H,3-4,6,8,10,12H2;2*3H2,1-2H3;2*1-2H2
InChIKeyMZTIEFFSHWFAGC-UHFFFAOYSA-N
XLogP9.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane?
The IUPAC name of ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane (CID 144524510) is ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane.
What is the SMILES notation for ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane?
The canonical SMILES for ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane is C=C.C=C.CCC.CCC.OC1=CC=C(C2=CC=C(C3=CC=C(O)CC3)CC2)CC1.
What is the InChIKey of ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane?
The InChIKey is MZTIEFFSHWFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.2C3H8.2C2H4/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;2*1-3-2;2*1-2/h1-2,5,7,9,11,19-20H,3-4,6,8,10,12H2;2*3H2,1-2H3;2*1-2H2.
What are the key properties of ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane?
ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane has a molecular weight of 412.66 g/mol, XLogP of 9.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane is sourced from PubChem (CID 144524510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).