(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol

C18H28O2 — CID 134172927

IUPAC(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol
SMILESC/C=C\C1=C(/C(=C/CC)CO)C=C(CCC(C)C)OC1
InChIInChI=1S/C18H28O2/c1-5-7-15(12-19)18-11-17(10-9-14(3)4)20-13-16(18)8-6-2/h6-8,11,14,19H,5,9-10,12-13H2,1-4H3/b8-6-,15-7+
InChIKeyCFRLFGMNRUJJNJ-XXFHCLJSSA-N
MW276.42 g/mol
LogP4.54
Rot. Bonds7

About (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol

(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol (PubChem CID 134172927) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol
PubChem CID134172927
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol
SMILESC/C=C\C1=C(/C(=C/CC)CO)C=C(CCC(C)C)OC1
InChIInChI=1S/C18H28O2/c1-5-7-15(12-19)18-11-17(10-9-14(3)4)20-13-16(18)8-6-2/h6-8,11,14,19H,5,9-10,12-13H2,1-4H3/b8-6-,15-7+
InChIKeyCFRLFGMNRUJJNJ-XXFHCLJSSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol?
The IUPAC name of (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol (CID 134172927) is (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol.
What is the SMILES notation for (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol?
The canonical SMILES for (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol is C/C=C\C1=C(/C(=C/CC)CO)C=C(CCC(C)C)OC1.
What is the InChIKey of (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol?
The InChIKey is CFRLFGMNRUJJNJ-XXFHCLJSSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-7-15(12-19)18-11-17(10-9-14(3)4)20-13-16(18)8-6-2/h6-8,11,14,19H,5,9-10,12-13H2,1-4H3/b8-6-,15-7+.
What are the key properties of (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol?
(Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[6-(3-methylbutyl)-3-[(Z)-prop-1-enyl]-2H-pyran-4-yl]pent-2-en-1-ol is sourced from PubChem (CID 134172927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).