2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol

C11H18O3 — CID 10442720

IUPAC2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol
SMILESCC1=C(CCO)CCC2(C1)OCCO2
InChIInChI=1S/C11H18O3/c1-9-8-11(13-6-7-14-11)4-2-10(9)3-5-12/h12H,2-8H2,1H3
InChIKeyKFDISBWYVLPMDJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds2

About 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol

2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol (PubChem CID 10442720) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol.

Molecular Properties

Compound Name2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol
PubChem CID10442720
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol
SMILESCC1=C(CCO)CCC2(C1)OCCO2
InChIInChI=1S/C11H18O3/c1-9-8-11(13-6-7-14-11)4-2-10(9)3-5-12/h12H,2-8H2,1H3
InChIKeyKFDISBWYVLPMDJ-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
CID 10585134
7-Methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
CID 10797572
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
CID 10845642
(8-Methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
CID 14377557
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 58626947
(Z)-11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol
CID 59841793
11-(2-Methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol
CID 72576197
8-Ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 88992933
8-Ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 123780950
Ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160
8-Propyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144973126

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol?
The IUPAC name of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol (CID 10442720) is 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol.
What is the SMILES notation for 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol?
The canonical SMILES for 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol is CC1=C(CCO)CCC2(C1)OCCO2.
What is the InChIKey of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol?
The InChIKey is KFDISBWYVLPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9-8-11(13-6-7-14-11)4-2-10(9)3-5-12/h12H,2-8H2,1H3.
What are the key properties of 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol?
2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)ethanol is sourced from PubChem (CID 10442720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).