(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne

C15H26 — CID 134995226

IUPAC(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne
SMILESCC(C)=CC[C@H](C)CC#C[C@H](C)C(C)C
InChIInChI=1S/C15H26/c1-12(2)10-11-14(5)8-7-9-15(6)13(3)4/h10,13-15H,8,11H2,1-6H3/t14-,15+/m1/s1
InChIKeyDHSHGBUUHVBRGR-CABCVRRESA-N
MW206.37 g/mol
LogP4.66
Rot. Bonds4

About (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne

(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne (PubChem CID 134995226) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne.

Molecular Properties

Compound Name(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne
PubChem CID134995226
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne
SMILESCC(C)=CC[C@H](C)CC#C[C@H](C)C(C)C
InChIInChI=1S/C15H26/c1-12(2)10-11-14(5)8-7-9-15(6)13(3)4/h10,13-15H,8,11H2,1-6H3/t14-,15+/m1/s1
InChIKeyDHSHGBUUHVBRGR-CABCVRRESA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 144650208
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[(4R)-4,8-dimethylnon-7-en-1-ynyl]-trimethylsilane
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3,5,8-trimethylnona-1,7-diene
CID 123488814
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[(2S,3S)-3-[(2R,3R)-3,6-dimethylhept-5-en-2-yl]oxiran-2-yl]methanol
CID 10559882
5,8-dimethyl-1-trimethylsilylnon-7-en-3-one
CID 100921795
4-methyloct-1-en-6-yne
CID 142524284
(E)-N-methoxy-5-methyl-2-[3-tri(propan-2-yl)silylprop-2-ynyl]hex-4-en-1-imine
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3,7-dimethyloct-6-enenitrile
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(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne?
The IUPAC name of (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne (CID 134995226) is (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne.
What is the SMILES notation for (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne?
The canonical SMILES for (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne is CC(C)=CC[C@H](C)CC#C[C@H](C)C(C)C.
What is the InChIKey of (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne?
The InChIKey is DHSHGBUUHVBRGR-CABCVRRESA-N. The full InChI is InChI=1S/C15H26/c1-12(2)10-11-14(5)8-7-9-15(6)13(3)4/h10,13-15H,8,11H2,1-6H3/t14-,15+/m1/s1.
What are the key properties of (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne?
(5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne has a molecular weight of 206.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-2,5,9,10-tetramethylundec-2-en-7-yne is sourced from PubChem (CID 134995226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).