(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene

C15H26 — CID 162828118

IUPAC(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
SMILESC=C[C@H](C)CCC(CCC(=C)C)C(=C)C
InChIInChI=1S/C15H26/c1-7-14(6)9-11-15(13(4)5)10-8-12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15?/m0/s1
InChIKeyQLJDIDJHRGOWHJ-MLCCFXAWSA-N
MW206.37 g/mol
LogP5.14
Rot. Bonds8

About (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene

(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene (PubChem CID 162828118) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene.

Molecular Properties

Compound Name(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
PubChem CID162828118
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
SMILESC=C[C@H](C)CCC(CCC(=C)C)C(=C)C
InChIInChI=1S/C15H26/c1-7-14(6)9-11-15(13(4)5)10-8-12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15?/m0/s1
InChIKeyQLJDIDJHRGOWHJ-MLCCFXAWSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.14
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

2,7-dimethyl-5-prop-1-en-2-ylnona-1,8-diene
CID 572166
8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162195902
(5S,8R)-8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162701561
6-methyl-3-prop-1-en-2-ylhept-6-enoic acid
CID 175242671
3,6-dimethylhept-1-ene
CID 18443713
2,6-dimethylocta-1,7-dien-3-yl acetate
CID 521972
(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol
CID 87224782
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6,13-triene
CID 101024695
(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
CID 5471130
N-ethyl-5-methylhept-6-en-2-imine
CID 126728063
ethane;2-methylbut-1-ene;(3S)-3-methylhepta-1,6-diene
CID 176715177
3,6-dimethylhept-1-ene;ethane
CID 142076338

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene?
The IUPAC name of (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene (CID 162828118) is (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene.
What is the SMILES notation for (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene?
The canonical SMILES for (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene is C=C[C@H](C)CCC(CCC(=C)C)C(=C)C.
What is the InChIKey of (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene?
The InChIKey is QLJDIDJHRGOWHJ-MLCCFXAWSA-N. The full InChI is InChI=1S/C15H26/c1-7-14(6)9-11-15(13(4)5)10-8-12(2)3/h7,14-15H,1-2,4,8-11H2,3,5-6H3/t14-,15?/m0/s1.
What are the key properties of (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene?
(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene has a molecular weight of 206.37 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene is sourced from PubChem (CID 162828118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).