[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane

C15H24O — CID 176941862

IUPAC[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane
SMILESC=C(OC1CCCC1)/C(C)=C\C=C/CCC
InChIInChI=1S/C15H24O/c1-4-5-6-7-10-13(2)14(3)16-15-11-8-9-12-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3/b7-6-,13-10-
InChIKeyBXZZUZGGDQPXGJ-IAHOLQHESA-N
MW220.36 g/mol
LogP4.76
Rot. Bonds6

About [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane

[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane (PubChem CID 176941862) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane.

Molecular Properties

Compound Name[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane
PubChem CID176941862
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane
SMILESC=C(OC1CCCC1)/C(C)=C\C=C/CCC
InChIInChI=1S/C15H24O/c1-4-5-6-7-10-13(2)14(3)16-15-11-8-9-12-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3/b7-6-,13-10-
InChIKeyBXZZUZGGDQPXGJ-IAHOLQHESA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane?
The IUPAC name of [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane (CID 176941862) is [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane.
What is the SMILES notation for [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane?
The canonical SMILES for [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane is C=C(OC1CCCC1)/C(C)=C\C=C/CCC.
What is the InChIKey of [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane?
The InChIKey is BXZZUZGGDQPXGJ-IAHOLQHESA-N. The full InChI is InChI=1S/C15H24O/c1-4-5-6-7-10-13(2)14(3)16-15-11-8-9-12-15/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3/b7-6-,13-10-.
What are the key properties of [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane?
[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane has a molecular weight of 220.36 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane is sourced from PubChem (CID 176941862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).