(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol

C17H28O2 — CID 126762807

IUPAC(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol
SMILESC=C(/C=C(\C=C/C(C)CC)OCCCC1CC1)CO
InChIInChI=1S/C17H28O2/c1-4-14(2)7-10-17(12-15(3)13-18)19-11-5-6-16-8-9-16/h7,10,12,14,16,18H,3-6,8-9,11,13H2,1-2H3/b10-7-,17-12+
InChIKeySQSDURZQOTWBGY-YOXJPFRESA-N
MW264.41 g/mol
LogP4.23
Rot. Bonds10

About (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol

(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol (PubChem CID 126762807) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol
PubChem CID126762807
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol
SMILESC=C(/C=C(\C=C/C(C)CC)OCCCC1CC1)CO
InChIInChI=1S/C17H28O2/c1-4-14(2)7-10-17(12-15(3)13-18)19-11-5-6-16-8-9-16/h7,10,12,14,16,18H,3-6,8-9,11,13H2,1-2H3/b10-7-,17-12+
InChIKeySQSDURZQOTWBGY-YOXJPFRESA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol?
The IUPAC name of (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol (CID 126762807) is (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol.
What is the SMILES notation for (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol?
The canonical SMILES for (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol is C=C(/C=C(\C=C/C(C)CC)OCCCC1CC1)CO.
What is the InChIKey of (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol?
The InChIKey is SQSDURZQOTWBGY-YOXJPFRESA-N. The full InChI is InChI=1S/C17H28O2/c1-4-14(2)7-10-17(12-15(3)13-18)19-11-5-6-16-8-9-16/h7,10,12,14,16,18H,3-6,8-9,11,13H2,1-2H3/b10-7-,17-12+.
What are the key properties of (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol?
(3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol has a molecular weight of 264.41 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(3-cyclopropylpropoxy)-7-methyl-2-methylidenenona-3,5-dien-1-ol is sourced from PubChem (CID 126762807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).