3,7-dimethylnon-1-yne

C11H20 — CID 123724233

IUPAC3,7-dimethylnon-1-yne
SMILESC#CC(C)CCCC(C)CC
InChIInChI=1S/C11H20/c1-5-10(3)8-7-9-11(4)6-2/h1,10-11H,6-9H2,2-4H3
InChIKeySFRXTZQTWPOBQG-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds5

About 3,7-dimethylnon-1-yne

3,7-dimethylnon-1-yne (PubChem CID 123724233) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,7-dimethylnon-1-yne.

Molecular Properties

Compound Name3,7-dimethylnon-1-yne
PubChem CID123724233
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,7-dimethylnon-1-yne
SMILESC#CC(C)CCCC(C)CC
InChIInChI=1S/C11H20/c1-5-10(3)8-7-9-11(4)6-2/h1,10-11H,6-9H2,2-4H3
InChIKeySFRXTZQTWPOBQG-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(3R,7R)-3,7-dimethylnonane
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CID 59216928
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
3-ethyl-7-methylnonane
CID 526426
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2,6,10,15,19-pentamethylhenicosane
CID 6428617
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
7-ethoxy-3-methylhept-1-yne
CID 91807315
3-methyl-6-methylsulfanylhex-1-yne
CID 87187634
3-methylheptane;nickel
CID 158967838

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylnon-1-yne?
The IUPAC name of 3,7-dimethylnon-1-yne (CID 123724233) is 3,7-dimethylnon-1-yne.
What is the SMILES notation for 3,7-dimethylnon-1-yne?
The canonical SMILES for 3,7-dimethylnon-1-yne is C#CC(C)CCCC(C)CC.
What is the InChIKey of 3,7-dimethylnon-1-yne?
The InChIKey is SFRXTZQTWPOBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-10(3)8-7-9-11(4)6-2/h1,10-11H,6-9H2,2-4H3.
What are the key properties of 3,7-dimethylnon-1-yne?
3,7-dimethylnon-1-yne has a molecular weight of 152.28 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylnon-1-yne is sourced from PubChem (CID 123724233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).