(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol

C16H26O2 — CID 146332786

IUPAC(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol
SMILESC=C(C)C1CCC(C)=CC1/C(=C(/C)O)C(C)(C)O
InChIInChI=1S/C16H26O2/c1-10(2)13-8-7-11(3)9-14(13)15(12(4)17)16(5,6)18/h9,13-14,17-18H,1,7-8H2,2-6H3/b15-12+
InChIKeyODFBMGPRQHWINB-NTCAYCPXSA-N
MW250.38 g/mol
LogP4.14
Rot. Bonds3

About (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol

(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol (PubChem CID 146332786) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol.

Molecular Properties

Compound Name(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol
PubChem CID146332786
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol
SMILESC=C(C)C1CCC(C)=CC1/C(=C(/C)O)C(C)(C)O
InChIInChI=1S/C16H26O2/c1-10(2)13-8-7-11(3)9-14(13)15(12(4)17)16(5,6)18/h9,13-14,17-18H,1,7-8H2,2-6H3/b15-12+
InChIKeyODFBMGPRQHWINB-NTCAYCPXSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol?
The IUPAC name of (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol (CID 146332786) is (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol.
What is the SMILES notation for (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol?
The canonical SMILES for (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol is C=C(C)C1CCC(C)=CC1/C(=C(/C)O)C(C)(C)O.
What is the InChIKey of (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol?
The InChIKey is ODFBMGPRQHWINB-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H26O2/c1-10(2)13-8-7-11(3)9-14(13)15(12(4)17)16(5,6)18/h9,13-14,17-18H,1,7-8H2,2-6H3/b15-12+.
What are the key properties of (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol?
(E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol has a molecular weight of 250.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-3-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)pent-2-ene-2,4-diol is sourced from PubChem (CID 146332786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).