[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol

C17H28O3 — CID 154601709

IUPAC[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol
SMILESC=C(C)[C@H]1CC[C@H](CO)[C@]2(CCC3(OCCO3)[C@@H]2C)C1
InChIInChI=1S/C17H28O3/c1-12(2)14-4-5-15(11-18)16(10-14)6-7-17(13(16)3)19-8-9-20-17/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15-,16-/m1/s1
InChIKeyLAFQIWVGUNMITA-QKPAOTATSA-N
MW280.41 g/mol
LogP3.13
Rot. Bonds2

About [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol

[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol (PubChem CID 154601709) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol.

Molecular Properties

Compound Name[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol
PubChem CID154601709
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol
SMILESC=C(C)[C@H]1CC[C@H](CO)[C@]2(CCC3(OCCO3)[C@@H]2C)C1
InChIInChI=1S/C17H28O3/c1-12(2)14-4-5-15(11-18)16(10-14)6-7-17(13(16)3)19-8-9-20-17/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15-,16-/m1/s1
InChIKeyLAFQIWVGUNMITA-QKPAOTATSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.13
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 [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol?
The IUPAC name of [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol (CID 154601709) is [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol.
What is the SMILES notation for [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol?
The canonical SMILES for [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol is C=C(C)[C@H]1CC[C@H](CO)[C@]2(CCC3(OCCO3)[C@@H]2C)C1.
What is the InChIKey of [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol?
The InChIKey is LAFQIWVGUNMITA-QKPAOTATSA-N. The full InChI is InChI=1S/C17H28O3/c1-12(2)14-4-5-15(11-18)16(10-14)6-7-17(13(16)3)19-8-9-20-17/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15-,16-/m1/s1.
What are the key properties of [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol?
[(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol has a molecular weight of 280.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,7S,8S,11S)-6-methyl-11-prop-1-en-2-yl-1,4-dioxadispiro[4.1.57.25]tetradecan-8-yl]methanol is sourced from PubChem (CID 154601709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).