(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene

C17H35NO — CID 143401992

IUPAC(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene
SMILESC/C=C(/C)CC.C/C=C\CC.CC1CNCCC1O
InChIInChI=1S/C6H13NO.C6H12.C5H10/c1-5-4-7-3-2-6(5)8;1-4-6(3)5-2;1-3-5-4-2/h5-8H,2-4H2,1H3;4H,5H2,1-3H3;3,5H,4H2,1-2H3/b;6-4-;5-3-
InChIKeyCHLJAXCPCYTLNE-UMHVGIIUSA-N
MW269.47 g/mol
LogP4.31
Rot. Bonds2

About (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene

(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene (PubChem CID 143401992) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene.

Molecular Properties

Compound Name(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene
PubChem CID143401992
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene
SMILESC/C=C(/C)CC.C/C=C\CC.CC1CNCCC1O
InChIInChI=1S/C6H13NO.C6H12.C5H10/c1-5-4-7-3-2-6(5)8;1-4-6(3)5-2;1-3-5-4-2/h5-8H,2-4H2,1H3;4H,5H2,1-3H3;3,5H,4H2,1-2H3/b;6-4-;5-3-
InChIKeyCHLJAXCPCYTLNE-UMHVGIIUSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene?
The IUPAC name of (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene (CID 143401992) is (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene.
What is the SMILES notation for (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene?
The canonical SMILES for (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene is C/C=C(/C)CC.C/C=C\CC.CC1CNCCC1O.
What is the InChIKey of (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene?
The InChIKey is CHLJAXCPCYTLNE-UMHVGIIUSA-N. The full InChI is InChI=1S/C6H13NO.C6H12.C5H10/c1-5-4-7-3-2-6(5)8;1-4-6(3)5-2;1-3-5-4-2/h5-8H,2-4H2,1H3;4H,5H2,1-3H3;3,5H,4H2,1-2H3/b;6-4-;5-3-.
What are the key properties of (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene?
(Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene has a molecular weight of 269.47 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylpent-2-ene;3-methylpiperidin-4-ol;(Z)-pent-2-ene is sourced from PubChem (CID 143401992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).