(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol

C15H22O3 — CID 14433050

IUPAC(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol
SMILESCC1(CO)CCCC23COC4OCC(=CCC12)C43
InChIInChI=1S/C15H22O3/c1-14(8-16)5-2-6-15-9-18-13-12(15)10(7-17-13)3-4-11(14)15/h3,11-13,16H,2,4-9H2,1H3
InChIKeyVNQZAZXRYYZGBO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds1

About (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol

(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol (PubChem CID 14433050) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol.

Molecular Properties

Compound Name(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol
PubChem CID14433050
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol
SMILESCC1(CO)CCCC23COC4OCC(=CCC12)C43
InChIInChI=1S/C15H22O3/c1-14(8-16)5-2-6-15-9-18-13-12(15)10(7-17-13)3-4-11(14)15/h3,11-13,16H,2,4-9H2,1H3
InChIKeyVNQZAZXRYYZGBO-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
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 (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol?
The IUPAC name of (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol (CID 14433050) is (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol.
What is the SMILES notation for (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol?
The canonical SMILES for (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol is CC1(CO)CCCC23COC4OCC(=CCC12)C43.
What is the InChIKey of (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol?
The InChIKey is VNQZAZXRYYZGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(8-16)5-2-6-15-9-18-13-12(15)10(7-17-13)3-4-11(14)15/h3,11-13,16H,2,4-9H2,1H3.
What are the key properties of (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol?
(5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol has a molecular weight of 250.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-5-yl)methanol is sourced from PubChem (CID 14433050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).