(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene

C13H22 — CID 142561883

IUPAC(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene
SMILESC=C(C)/C=C\C(CCCC)=C(C)C
InChIInChI=1S/C13H22/c1-6-7-8-13(12(4)5)10-9-11(2)3/h9-10H,2,6-8H2,1,3-5H3/b10-9-
InChIKeyRTYIODXAFWHHNY-KTKRTIGZSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds5

About (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene

(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene (PubChem CID 142561883) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene
PubChem CID142561883
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene
SMILESC=C(C)/C=C\C(CCCC)=C(C)C
InChIInChI=1S/C13H22/c1-6-7-8-13(12(4)5)10-9-11(2)3/h9-10H,2,6-8H2,1,3-5H3/b10-9-
InChIKeyRTYIODXAFWHHNY-KTKRTIGZSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
2-methylhex-1-ene
CID 158402499
(E)-5-methylidenenon-3-ene
CID 173104879
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534
3-methylbuta-1,3-dienyl tetradecanoate
CID 163397981
(2E,4Z)-N-butyl-6-methylhepta-2,4,6-trien-3-amine
CID 143915621
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
(E)-5-ethenyl-6-prop-2-enyldec-5-ene
CID 101214127
2-methyltetradec-1-ene
CID 521375

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene?
The IUPAC name of (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene (CID 142561883) is (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene.
What is the SMILES notation for (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene?
The canonical SMILES for (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene is C=C(C)/C=C\C(CCCC)=C(C)C.
What is the InChIKey of (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene?
The InChIKey is RTYIODXAFWHHNY-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H22/c1-6-7-8-13(12(4)5)10-9-11(2)3/h9-10H,2,6-8H2,1,3-5H3/b10-9-.
What are the key properties of (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene?
(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene is sourced from PubChem (CID 142561883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).