(2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol

C15H26O3 — CID 122635503

IUPAC(2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
SMILESCCCC1(CO)CCC2(C=C1C)OC(C)C(C)O2
InChIInChI=1S/C15H26O3/c1-5-6-14(10-16)7-8-15(9-11(14)2)17-12(3)13(4)18-15/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyRSEFSQGOZYPNPA-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.03
Rot. Bonds3

About (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol

(2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol (PubChem CID 122635503) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol.

Molecular Properties

Compound Name(2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
PubChem CID122635503
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
SMILESCCCC1(CO)CCC2(C=C1C)OC(C)C(C)O2
InChIInChI=1S/C15H26O3/c1-5-6-14(10-16)7-8-15(9-11(14)2)17-12(3)13(4)18-15/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyRSEFSQGOZYPNPA-UHFFFAOYSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
The IUPAC name of (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol (CID 122635503) is (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol.
What is the SMILES notation for (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
The canonical SMILES for (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol is CCCC1(CO)CCC2(C=C1C)OC(C)C(C)O2.
What is the InChIKey of (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
The InChIKey is RSEFSQGOZYPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-6-14(10-16)7-8-15(9-11(14)2)17-12(3)13(4)18-15/h9,12-13,16H,5-8,10H2,1-4H3.
What are the key properties of (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol?
(2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol has a molecular weight of 254.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,7-trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol is sourced from PubChem (CID 122635503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).