5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene

C19H30 — CID 145345723

IUPAC5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene
SMILESC=CCCCC(CCCC)(C(=C)C)C1C=CC=CC1
InChIInChI=1S/C19H30/c1-5-7-12-16-19(17(3)4,15-8-6-2)18-13-10-9-11-14-18/h5,9-11,13,18H,1,3,6-8,12,14-16H2,2,4H3
InChIKeyNCSSYFBBFIIWIB-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.23
Rot. Bonds9

About 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene

5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene (PubChem CID 145345723) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene
PubChem CID145345723
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene
SMILESC=CCCCC(CCCC)(C(=C)C)C1C=CC=CC1
InChIInChI=1S/C19H30/c1-5-7-12-16-19(17(3)4,15-8-6-2)18-13-10-9-11-14-18/h5,9-11,13,18H,1,3,6-8,12,14-16H2,2,4H3
InChIKeyNCSSYFBBFIIWIB-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
CID 163780403
2-cyclohexa-2,4-dien-1-yl-2-(hydroxymethyl)-4-methylpentanoic acid
CID 70627080
hex-1-ene;2-methylbut-1-ene
CID 172686626
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
acetic acid;ethene;hex-1-ene
CID 174309563
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
acetic acid;oct-1-ene
CID 159976970
oct-1-ene;tetrahydrochloride
CID 172847494
hex-1-ene;zinc
CID 174554611
5-[(3Z)-hexa-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 145302798
acetic acid;octadec-1-ene;zinc
CID 175392389

Frequently Asked Questions

What is the IUPAC name of 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene?
The IUPAC name of 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene (CID 145345723) is 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene is C=CCCCC(CCCC)(C(=C)C)C1C=CC=CC1.
What is the InChIKey of 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene?
The InChIKey is NCSSYFBBFIIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-5-7-12-16-19(17(3)4,15-8-6-2)18-13-10-9-11-14-18/h5,9-11,13,18H,1,3,6-8,12,14-16H2,2,4H3.
What are the key properties of 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene?
5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene has a molecular weight of 258.45 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-prop-1-en-2-yldec-9-en-5-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 145345723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).