(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane

C12H20O2 — CID 143202133

IUPAC(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane
SMILESC=C(O)/C=C\C(=C)C(C)C.CC1CO1
InChIInChI=1S/C9H14O.C3H6O/c1-7(2)8(3)5-6-9(4)10;1-3-2-4-3/h5-7,10H,3-4H2,1-2H3;3H,2H2,1H3/b6-5-;
InChIKeyVKPDSSPZDPTKBE-YSMBQZINSA-N
MW196.29 g/mol
LogP3.23
Rot. Bonds3

About (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane

(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane (PubChem CID 143202133) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane.

Molecular Properties

Compound Name(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane
PubChem CID143202133
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane
SMILESC=C(O)/C=C\C(=C)C(C)C.CC1CO1
InChIInChI=1S/C9H14O.C3H6O/c1-7(2)8(3)5-6-9(4)10;1-3-2-4-3/h5-7,10H,3-4H2,1-2H3;3H,2H2,1H3/b6-5-;
InChIKeyVKPDSSPZDPTKBE-YSMBQZINSA-N
XLogP3.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane?
The IUPAC name of (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane (CID 143202133) is (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane.
What is the SMILES notation for (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane?
The canonical SMILES for (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane is C=C(O)/C=C\C(=C)C(C)C.CC1CO1.
What is the InChIKey of (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane?
The InChIKey is VKPDSSPZDPTKBE-YSMBQZINSA-N. The full InChI is InChI=1S/C9H14O.C3H6O/c1-7(2)8(3)5-6-9(4)10;1-3-2-4-3/h5-7,10H,3-4H2,1-2H3;3H,2H2,1H3/b6-5-;.
What are the key properties of (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane?
(3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane has a molecular weight of 196.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-5-methylidenehepta-1,3-dien-2-ol;2-methyloxirane is sourced from PubChem (CID 143202133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).