6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene

C16H24 — CID 123495231

IUPAC6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene
SMILESC=CCC(=C)C(C(=C)C)=C(C)C(C)=C(C)C
InChIInChI=1S/C16H24/c1-9-10-13(6)16(12(4)5)15(8)14(7)11(2)3/h9H,1,4,6,10H2,2-3,5,7-8H3
InChIKeyNYHQOFJKUTXPAY-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.37
Rot. Bonds5

About 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene

6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene (PubChem CID 123495231) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene.

Molecular Properties

Compound Name6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene
PubChem CID123495231
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene
SMILESC=CCC(=C)C(C(=C)C)=C(C)C(C)=C(C)C
InChIInChI=1S/C16H24/c1-9-10-13(6)16(12(4)5)15(8)14(7)11(2)3/h9H,1,4,6,10H2,2-3,5,7-8H3
InChIKeyNYHQOFJKUTXPAY-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-3-prop-1-en-2-ylpenta-1,3-diene
CID 142833996
(4E)-2,3,5-trimethyl-4-prop-1-en-2-ylocta-2,4-diene
CID 145265652
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
ethene;2-methylidenepent-4-enoic acid
CID 174232070
(213C)pent-4-en-2-one
CID 173180315
3-ethyl-4-prop-1-en-2-ylhepta-1,3,6-triene
CID 141197740
N-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimine
CID 138528700
azane;2-methylidenepent-4-enamide
CID 87195427
2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
CID 162498864
3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
CID 170590567
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 170590515

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene?
The IUPAC name of 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene (CID 123495231) is 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene.
What is the SMILES notation for 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene?
The canonical SMILES for 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene is C=CCC(=C)C(C(=C)C)=C(C)C(C)=C(C)C.
What is the InChIKey of 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene?
The InChIKey is NYHQOFJKUTXPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-9-10-13(6)16(12(4)5)15(8)14(7)11(2)3/h9H,1,4,6,10H2,2-3,5,7-8H3.
What are the key properties of 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene?
6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene has a molecular weight of 216.37 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene is sourced from PubChem (CID 123495231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).