5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol

C18H32O3 — CID 58661782

IUPAC5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCC[C@@H]1CC[C@]2(CCCC3(C2)OCCO3)C1
InChIInChI=1S/C18H32O3/c1-16(2,19)7-3-5-15-6-10-17(13-15)8-4-9-18(14-17)20-11-12-21-18/h15,19H,3-14H2,1-2H3/t15-,17-/m1/s1
InChIKeyFQHAONGXJNNIMQ-NVXWUHKLSA-N
MW296.45 g/mol
LogP4.03
Rot. Bonds4

About 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol

5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol (PubChem CID 58661782) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol
PubChem CID58661782
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol
SMILESCC(C)(O)CCC[C@@H]1CC[C@]2(CCCC3(C2)OCCO3)C1
InChIInChI=1S/C18H32O3/c1-16(2,19)7-3-5-15-6-10-17(13-15)8-4-9-18(14-17)20-11-12-21-18/h15,19H,3-14H2,1-2H3/t15-,17-/m1/s1
InChIKeyFQHAONGXJNNIMQ-NVXWUHKLSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol?
The IUPAC name of 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol (CID 58661782) is 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol.
What is the SMILES notation for 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol?
The canonical SMILES for 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol is CC(C)(O)CCC[C@@H]1CC[C@]2(CCCC3(C2)OCCO3)C1.
What is the InChIKey of 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol?
The InChIKey is FQHAONGXJNNIMQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H32O3/c1-16(2,19)7-3-5-15-6-10-17(13-15)8-4-9-18(14-17)20-11-12-21-18/h15,19H,3-14H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol?
5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol has a molecular weight of 296.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5R)-8,11-dioxadispiro[4.1.47.35]tetradecan-3-yl]-2-methylpentan-2-ol is sourced from PubChem (CID 58661782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).