(11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol

C17H26O3 — CID 11437408

IUPAC(11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol
SMILESCC1=CCC2(CC1)C(CO)=CC1(CC2(C)C)OCCO1
InChIInChI=1S/C17H26O3/c1-13-4-6-16(7-5-13)14(11-18)10-17(12-15(16,2)3)19-8-9-20-17/h4,10,18H,5-9,11-12H2,1-3H3
InChIKeyPMZWALMSGKTCLQ-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.19
Rot. Bonds1

About (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol

(11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol (PubChem CID 11437408) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol.

Molecular Properties

Compound Name(11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol
PubChem CID11437408
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol
SMILESCC1=CCC2(CC1)C(CO)=CC1(CC2(C)C)OCCO1
InChIInChI=1S/C17H26O3/c1-13-4-6-16(7-5-13)14(11-18)10-17(12-15(16,2)3)19-8-9-20-17/h4,10,18H,5-9,11-12H2,1-3H3
InChIKeyPMZWALMSGKTCLQ-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.19
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 (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol?
The IUPAC name of (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol (CID 11437408) is (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol.
What is the SMILES notation for (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol?
The canonical SMILES for (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol is CC1=CCC2(CC1)C(CO)=CC1(CC2(C)C)OCCO1.
What is the InChIKey of (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol?
The InChIKey is PMZWALMSGKTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-13-4-6-16(7-5-13)14(11-18)10-17(12-15(16,2)3)19-8-9-20-17/h4,10,18H,5-9,11-12H2,1-3H3.
What are the key properties of (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol?
(11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol has a molecular weight of 278.39 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11,14,14-trimethyl-1,4-dioxadispiro[4.2.58.25]pentadeca-6,10-dien-7-yl)methanol is sourced from PubChem (CID 11437408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).