(9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol

C14H24O3 — CID 122582539

IUPAC(9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
SMILESC=C(C)C1CCC(C)(C)CC12OCC(CO)O2
InChIInChI=1S/C14H24O3/c1-10(2)12-5-6-13(3,4)9-14(12)16-8-11(7-15)17-14/h11-12,15H,1,5-9H2,2-4H3
InChIKeyLCACRCRBNPXPFU-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.49
Rot. Bonds2

About (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol

(9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol (PubChem CID 122582539) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol.

Molecular Properties

Compound Name(9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
PubChem CID122582539
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol
SMILESC=C(C)C1CCC(C)(C)CC12OCC(CO)O2
InChIInChI=1S/C14H24O3/c1-10(2)12-5-6-13(3,4)9-14(12)16-8-11(7-15)17-14/h11-12,15H,1,5-9H2,2-4H3
InChIKeyLCACRCRBNPXPFU-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.49
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 (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
The IUPAC name of (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol (CID 122582539) is (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol.
What is the SMILES notation for (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
The canonical SMILES for (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol is C=C(C)C1CCC(C)(C)CC12OCC(CO)O2.
What is the InChIKey of (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
The InChIKey is LCACRCRBNPXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-10(2)12-5-6-13(3,4)9-14(12)16-8-11(7-15)17-14/h11-12,15H,1,5-9H2,2-4H3.
What are the key properties of (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol?
(9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol has a molecular weight of 240.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethyl-6-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decan-3-yl)methanol is sourced from PubChem (CID 122582539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).