2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene

C18H32 — CID 123699260

IUPAC2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
SMILESC=C(C)CC(C(=C)C)C(CC(C)C(C)C)C(=C)C
InChIInChI=1S/C18H32/c1-12(2)10-17(14(5)6)18(15(7)8)11-16(9)13(3)4/h13,16-18H,1,5,7,10-11H2,2-4,6,8-9H3
InChIKeyMSDAYMJZPTYCTD-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.02
Rot. Bonds8

About 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene

2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene (PubChem CID 123699260) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene.

Molecular Properties

Compound Name2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
PubChem CID123699260
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene
SMILESC=C(C)CC(C(=C)C)C(CC(C)C(C)C)C(=C)C
InChIInChI=1S/C18H32/c1-12(2)10-17(14(5)6)18(15(7)8)11-16(9)13(3)4/h13,16-18H,1,5,7,10-11H2,2-4,6,8-9H3
InChIKeyMSDAYMJZPTYCTD-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trimethyl-4-prop-1-en-2-ylhepta-1,6-diene
CID 91102055
2,3,5,7,8-pentamethylnon-1-ene
CID 177053825
(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
2,4-dimethylpent-1-ene;ethane
CID 143336990
3-(chloromethyl)-2,4-dimethylpent-1-ene
CID 169183451
2,5-dimethylhex-5-en-3-amine
CID 79177176
2-fluoro-4,7-dimethyl-5-(3-methylbut-1-en-2-yl)octa-1,7-diene
CID 175620074
N,5-dimethyl-4-propan-2-ylhex-5-en-2-imine
CID 174356407
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
6-methylhept-6-ene-2,4-diol
CID 57030596
(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
(5E)-2,5,7-trimethyl-3-propan-2-ylocta-1,5-diene
CID 102247681

Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene?
The IUPAC name of 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene (CID 123699260) is 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene.
What is the SMILES notation for 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene?
The canonical SMILES for 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene is C=C(C)CC(C(=C)C)C(CC(C)C(C)C)C(=C)C.
What is the InChIKey of 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene?
The InChIKey is MSDAYMJZPTYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-12(2)10-17(14(5)6)18(15(7)8)11-16(9)13(3)4/h13,16-18H,1,5,7,10-11H2,2-4,6,8-9H3.
What are the key properties of 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene?
2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene has a molecular weight of 248.45 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-4,5-bis(prop-1-en-2-yl)non-1-ene is sourced from PubChem (CID 123699260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).