(3R)-3-methyloct-1-yne

C9H16 — CID 59216928

IUPAC(3R)-3-methyloct-1-yne
SMILESC#C[C@H](C)CCCCC
InChIInChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h2,9H,4,6-8H2,1,3H3/t9-/m0/s1
InChIKeyKLYYIIUTZRLMQU-VIFPVBQESA-N
MW124.23 g/mol
LogP2.84
Rot. Bonds4

About (3R)-3-methyloct-1-yne

(3R)-3-methyloct-1-yne (PubChem CID 59216928) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3R)-3-methyloct-1-yne.

Molecular Properties

Compound Name(3R)-3-methyloct-1-yne
PubChem CID59216928
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3R)-3-methyloct-1-yne
SMILESC#C[C@H](C)CCCCC
InChIInChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h2,9H,4,6-8H2,1,3H3/t9-/m0/s1
InChIKeyKLYYIIUTZRLMQU-VIFPVBQESA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylnon-1-yne
CID 123724233
7-ethoxy-3-methylhept-1-yne
CID 91807315
4-methylnon-1-yne
CID 20743131
4-ethynyldodecane
CID 15570330
3,7,11,15-tetramethylhexadec-1-yne
CID 90737632
trimethyl(oct-1-yn-3-yl)silane
CID 13199502
3-ethoxyoct-1-yne
CID 20555693
oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
1-(5-methylhept-6-ynyl)azetidine
CID 163432114
6-methyldodec-1-yne
CID 123369200
3-methylsulfanylnon-1-yne
CID 91502875

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyloct-1-yne?
The IUPAC name of (3R)-3-methyloct-1-yne (CID 59216928) is (3R)-3-methyloct-1-yne.
What is the SMILES notation for (3R)-3-methyloct-1-yne?
The canonical SMILES for (3R)-3-methyloct-1-yne is C#C[C@H](C)CCCCC.
What is the InChIKey of (3R)-3-methyloct-1-yne?
The InChIKey is KLYYIIUTZRLMQU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16/c1-4-6-7-8-9(3)5-2/h2,9H,4,6-8H2,1,3H3/t9-/m0/s1.
What are the key properties of (3R)-3-methyloct-1-yne?
(3R)-3-methyloct-1-yne has a molecular weight of 124.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyloct-1-yne is sourced from PubChem (CID 59216928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).