10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol

C20H30O3 — CID 142041470

IUPAC10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol
SMILESCC1=C2C3CC4(C)C(O)CC5OCC5C4CC2(CC1)C(C)(C)O3
InChIInChI=1S/C20H30O3/c1-11-5-6-20-8-13-12-10-22-14(12)7-16(21)19(13,4)9-15(17(11)20)23-18(20,2)3/h12-16,21H,5-10H2,1-4H3
InChIKeyZTCVEBWRARXJQG-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.46
Rot. Bonds

About 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol

10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol (PubChem CID 142041470) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol.

Molecular Properties

Compound Name10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol
PubChem CID142041470
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol
SMILESCC1=C2C3CC4(C)C(O)CC5OCC5C4CC2(CC1)C(C)(C)O3
InChIInChI=1S/C20H30O3/c1-11-5-6-20-8-13-12-10-22-14(12)7-16(21)19(13,4)9-15(17(11)20)23-18(20,2)3/h12-16,21H,5-10H2,1-4H3
InChIKeyZTCVEBWRARXJQG-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.46
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 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol?
The IUPAC name of 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol (CID 142041470) is 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol.
What is the SMILES notation for 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol?
The canonical SMILES for 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol is CC1=C2C3CC4(C)C(O)CC5OCC5C4CC2(CC1)C(C)(C)O3.
What is the InChIKey of 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol?
The InChIKey is ZTCVEBWRARXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-11-5-6-20-8-13-12-10-22-14(12)7-16(21)19(13,4)9-15(17(11)20)23-18(20,2)3/h12-16,21H,5-10H2,1-4H3.
What are the key properties of 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol?
10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol has a molecular weight of 318.46 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14,17,17-tetramethyl-6,18-dioxapentacyclo[10.4.2.01,13.03,10.04,7]octadec-13-en-9-ol is sourced from PubChem (CID 142041470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).