(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal

C11H18O — CID 10820962

IUPAC(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal
SMILESC=C(C)/C(C=O)=C\CCC(C)C
InChIInChI=1S/C11H18O/c1-9(2)6-5-7-11(8-12)10(3)4/h7-9H,3,5-6H2,1-2,4H3/b11-7-
InChIKeyFPYNSPRFGVLIMB-XFFZJAGNSA-N
MW166.26 g/mol
LogP3.12
Rot. Bonds5

About (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal

(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal (PubChem CID 10820962) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal.

Molecular Properties

Compound Name(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal
PubChem CID10820962
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal
SMILESC=C(C)/C(C=O)=C\CCC(C)C
InChIInChI=1S/C11H18O/c1-9(2)6-5-7-11(8-12)10(3)4/h7-9H,3,5-6H2,1-2,4H3/b11-7-
InChIKeyFPYNSPRFGVLIMB-XFFZJAGNSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785
methane;4-methylpentanal
CID 87157049
(1Z,3E)-3,7-dimethylocta-1,3-dien-1-ol
CID 141062858
(3Z)-3-chloro-2-methoxy-7-methylocta-1,3-diene
CID 102247674
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
2,6-dimethylhept-5-enal
CID 158364508
2,6-dimethylhept-1-en-3-ol
CID 13208265
(Z)-2,7-dimethyl-3-methylsulfanyloct-3-ene
CID 88884463
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
4-ethyl-8-methylnona-1,2,4-triene
CID 123826807
7-methyl-2-(3-methylbutan-2-yl)oct-2-enal
CID 173411600
2-cyano-6-methylhept-2-enoic acid
CID 57060321

Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal?
The IUPAC name of (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal (CID 10820962) is (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal.
What is the SMILES notation for (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal?
The canonical SMILES for (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal is C=C(C)/C(C=O)=C\CCC(C)C.
What is the InChIKey of (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal?
The InChIKey is FPYNSPRFGVLIMB-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)6-5-7-11(8-12)10(3)4/h7-9H,3,5-6H2,1-2,4H3/b11-7-.
What are the key properties of (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal?
(E)-6-methyl-2-prop-1-en-2-ylhept-2-enal has a molecular weight of 166.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-2-prop-1-en-2-ylhept-2-enal is sourced from PubChem (CID 10820962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).