[(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine

C12H22N2O — CID 134449495

IUPAC[(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine
SMILESC=CCOC(C)/C=C(C)\C(=C/CC)NN
InChIInChI=1S/C12H22N2O/c1-5-7-12(14-13)10(3)9-11(4)15-8-6-2/h6-7,9,11,14H,2,5,8,13H2,1,3-4H3/b10-9-,12-7+
InChIKeyBJMLRSZQUVMQRF-ZFNKZLGSSA-N
MW210.32 g/mol
LogP2.28
Rot. Bonds7

About [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine

[(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine (PubChem CID 134449495) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine
PubChem CID134449495
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine
SMILESC=CCOC(C)/C=C(C)\C(=C/CC)NN
InChIInChI=1S/C12H22N2O/c1-5-7-12(14-13)10(3)9-11(4)15-8-6-2/h6-7,9,11,14H,2,5,8,13H2,1,3-4H3/b10-9-,12-7+
InChIKeyBJMLRSZQUVMQRF-ZFNKZLGSSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine?
The IUPAC name of [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine (CID 134449495) is [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine.
What is the SMILES notation for [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine?
The canonical SMILES for [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine is C=CCOC(C)/C=C(C)\C(=C/CC)NN.
What is the InChIKey of [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine?
The InChIKey is BJMLRSZQUVMQRF-ZFNKZLGSSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-12(14-13)10(3)9-11(4)15-8-6-2/h6-7,9,11,14H,2,5,8,13H2,1,3-4H3/b10-9-,12-7+.
What are the key properties of [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine?
[(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine has a molecular weight of 210.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-5-methyl-7-prop-2-enoxyocta-3,5-dien-4-yl]hydrazine is sourced from PubChem (CID 134449495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).