(5S)-5-methyl-3-methylidenehept-1-yne

C9H14 — CID 15744328

IUPAC(5S)-5-methyl-3-methylidenehept-1-yne
SMILESC#CC(=C)C[C@@H](C)CC
InChIInChI=1S/C9H14/c1-5-8(3)7-9(4)6-2/h1,9H,3,6-7H2,2,4H3/t9-/m0/s1
InChIKeyAQRDDBCFGMYUCK-VIFPVBQESA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds3

About (5S)-5-methyl-3-methylidenehept-1-yne

(5S)-5-methyl-3-methylidenehept-1-yne (PubChem CID 15744328) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (5S)-5-methyl-3-methylidenehept-1-yne.

Molecular Properties

Compound Name(5S)-5-methyl-3-methylidenehept-1-yne
PubChem CID15744328
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(5S)-5-methyl-3-methylidenehept-1-yne
SMILESC#CC(=C)C[C@@H](C)CC
InChIInChI=1S/C9H14/c1-5-8(3)7-9(4)6-2/h1,9H,3,6-7H2,2,4H3/t9-/m0/s1
InChIKeyAQRDDBCFGMYUCK-VIFPVBQESA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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

2-chloro-4-methylhex-1-ene
CID 15153636
2,6-dimethyl-4-methylideneoctane
CID 12567282
3,6-dimethyl-4-methylideneoctane
CID 91141716
2-fluoro-5-methyl-3-methylideneheptane
CID 130181565
4-methyl-2-methylidenehexanamide
CID 87496757
(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
3-ethyl-5-methylhept-2-ene
CID 90962982
1-(4-methylhex-1-en-2-yl)-4-propan-2-ylpiperidine
CID 129293801
N,4-dimethyl-N-(2-methylbutyl)pent-1-en-2-amine
CID 90787138
3-methylidenedodec-1-yne
CID 101018984
3-methyl-N-(2-methylprop-2-enyl)pentanamide
CID 114875356
N-hex-5-yn-3-yl-3-methylpentanamide
CID 114876499

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-methylidenehept-1-yne?
The IUPAC name of (5S)-5-methyl-3-methylidenehept-1-yne (CID 15744328) is (5S)-5-methyl-3-methylidenehept-1-yne.
What is the SMILES notation for (5S)-5-methyl-3-methylidenehept-1-yne?
The canonical SMILES for (5S)-5-methyl-3-methylidenehept-1-yne is C#CC(=C)C[C@@H](C)CC.
What is the InChIKey of (5S)-5-methyl-3-methylidenehept-1-yne?
The InChIKey is AQRDDBCFGMYUCK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14/c1-5-8(3)7-9(4)6-2/h1,9H,3,6-7H2,2,4H3/t9-/m0/s1.
What are the key properties of (5S)-5-methyl-3-methylidenehept-1-yne?
(5S)-5-methyl-3-methylidenehept-1-yne has a molecular weight of 122.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-methylidenehept-1-yne is sourced from PubChem (CID 15744328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).