(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol

C10H18O2 — CID 13263780

IUPAC(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol
SMILESC=CC(OC(C)C)C(O)/C=C/C
InChIInChI=1S/C10H18O2/c1-5-7-9(11)10(6-2)12-8(3)4/h5-11H,2H2,1,3-4H3/b7-5+
InChIKeyWKRGQEDHRXWWSR-FNORWQNLSA-N
MW170.25 g/mol
LogP1.90
Rot. Bonds5

About (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol

(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol (PubChem CID 13263780) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol
PubChem CID13263780
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol
SMILESC=CC(OC(C)C)C(O)/C=C/C
InChIInChI=1S/C10H18O2/c1-5-7-9(11)10(6-2)12-8(3)4/h5-11H,2H2,1,3-4H3/b7-5+
InChIKeyWKRGQEDHRXWWSR-FNORWQNLSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol?
The IUPAC name of (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol (CID 13263780) is (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol.
What is the SMILES notation for (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol?
The canonical SMILES for (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol is C=CC(OC(C)C)C(O)/C=C/C.
What is the InChIKey of (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol?
The InChIKey is WKRGQEDHRXWWSR-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-9(11)10(6-2)12-8(3)4/h5-11H,2H2,1,3-4H3/b7-5+.
What are the key properties of (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol?
(5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol has a molecular weight of 170.25 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-propan-2-yloxyhepta-1,5-dien-4-ol is sourced from PubChem (CID 13263780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).