(Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne

C10H16 — CID 91999103

IUPAC(Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne
SMILESC#C/C(=C\C(C)C)C(C)C
InChIInChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h1,7-9H,2-5H3/b10-7+
InChIKeyKBYDDIWLRPESPW-JXMROGBWSA-N
MW136.24 g/mol
LogP2.86
Rot. Bonds2

About (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne

(Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne (PubChem CID 91999103) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne.

Molecular Properties

Compound Name(Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne
PubChem CID91999103
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne
SMILESC#C/C(=C\C(C)C)C(C)C
InChIInChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h1,7-9H,2-5H3/b10-7+
InChIKeyKBYDDIWLRPESPW-JXMROGBWSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne?
The IUPAC name of (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne (CID 91999103) is (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne.
What is the SMILES notation for (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne?
The canonical SMILES for (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne is C#C/C(=C\C(C)C)C(C)C.
What is the InChIKey of (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne?
The InChIKey is KBYDDIWLRPESPW-JXMROGBWSA-N. The full InChI is InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h1,7-9H,2-5H3/b10-7+.
What are the key properties of (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne?
(Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne has a molecular weight of 136.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-3-propan-2-ylhex-3-en-1-yne is sourced from PubChem (CID 91999103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).