(Z)-3-tert-butyl-5-methylhex-3-en-1-yne

C11H18 — CID 91999107

IUPAC(Z)-3-tert-butyl-5-methylhex-3-en-1-yne
SMILESC#C/C(=C\C(C)C)C(C)(C)C
InChIInChI=1S/C11H18/c1-7-10(8-9(2)3)11(4,5)6/h1,8-9H,2-6H3/b10-8+
InChIKeyHIONMBRCBDCAOY-CSKARUKUSA-N
MW150.26 g/mol
LogP3.25
Rot. Bonds1

About (Z)-3-tert-butyl-5-methylhex-3-en-1-yne

(Z)-3-tert-butyl-5-methylhex-3-en-1-yne (PubChem CID 91999107) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (Z)-3-tert-butyl-5-methylhex-3-en-1-yne.

Molecular Properties

Compound Name(Z)-3-tert-butyl-5-methylhex-3-en-1-yne
PubChem CID91999107
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(Z)-3-tert-butyl-5-methylhex-3-en-1-yne
SMILESC#C/C(=C\C(C)C)C(C)(C)C
InChIInChI=1S/C11H18/c1-7-10(8-9(2)3)11(4,5)6/h1,8-9H,2-6H3/b10-8+
InChIKeyHIONMBRCBDCAOY-CSKARUKUSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.25
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

1-Ethynyl-3,3-dimethylcyclopropene
CID 91407347
(E)-3,4-ditert-butylhex-3-en-1,5-diyne
CID 100967834
3-(1,1-Dimethylethyl) hex-2-en-4-yne
CID 129768814
3-(1,1-Dimethylethyl)-pent-3-en-1-yne
CID 129768979
1-(3,3-Dimethylbutyn-1-yl)-2,2-dimethylcyclopropene
CID 562771
Oct-3-ene-1,5-diyne, 3-t-butyl-7,7-dimethyl-
CID 5362777
Oct-3-ene-1,5-diyne, 3-isopropyl-7-methyl-
CID 5373657
(3E)-3,4-Diisopropyl-3-hexene-1,5-diyne
CID 5373663
(Z)-3-tert-butyl-7,7-dimethyloct-3-en-1,5-diyne
CID 6536842
(Z)-7-methyl-3-propan-2-yloct-3-en-1,5-diyne
CID 6537048
(E)-4,5,5-trimethylhex-3-en-1-yne
CID 5705671
4-Tert-butyl-5,5-dimethylhex-3-en-1-yne
CID 46918802

Frequently Asked Questions

What is the IUPAC name of (Z)-3-tert-butyl-5-methylhex-3-en-1-yne?
The IUPAC name of (Z)-3-tert-butyl-5-methylhex-3-en-1-yne (CID 91999107) is (Z)-3-tert-butyl-5-methylhex-3-en-1-yne.
What is the SMILES notation for (Z)-3-tert-butyl-5-methylhex-3-en-1-yne?
The canonical SMILES for (Z)-3-tert-butyl-5-methylhex-3-en-1-yne is C#C/C(=C\C(C)C)C(C)(C)C.
What is the InChIKey of (Z)-3-tert-butyl-5-methylhex-3-en-1-yne?
The InChIKey is HIONMBRCBDCAOY-CSKARUKUSA-N. The full InChI is InChI=1S/C11H18/c1-7-10(8-9(2)3)11(4,5)6/h1,8-9H,2-6H3/b10-8+.
What are the key properties of (Z)-3-tert-butyl-5-methylhex-3-en-1-yne?
(Z)-3-tert-butyl-5-methylhex-3-en-1-yne has a molecular weight of 150.26 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-tert-butyl-5-methylhex-3-en-1-yne is sourced from PubChem (CID 91999107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).