(1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol

C14H24O3 — CID 10944544

IUPAC(1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol
SMILESC=CCC[C@H](O)[C@@]1(C)COC2(CCCCC2)O1
InChIInChI=1S/C14H24O3/c1-3-4-8-12(15)13(2)11-16-14(17-13)9-6-5-7-10-14/h3,12,15H,1,4-11H2,2H3/t12-,13+/m0/s1
InChIKeyODYZAIZZODVAKS-QWHCGFSZSA-N
MW240.34 g/mol
LogP2.78
Rot. Bonds4

About (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol

(1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol (PubChem CID 10944544) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol
PubChem CID10944544
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol
SMILESC=CCC[C@H](O)[C@@]1(C)COC2(CCCCC2)O1
InChIInChI=1S/C14H24O3/c1-3-4-8-12(15)13(2)11-16-14(17-13)9-6-5-7-10-14/h3,12,15H,1,4-11H2,2H3/t12-,13+/m0/s1
InChIKeyODYZAIZZODVAKS-QWHCGFSZSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol with MolForge

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Related Compounds

(1R,2R)-2-fluoro-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415776
(1R,2S)-2-fluoro-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415791
(2R)-2-fluoro-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415810
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)hepta-1,6-dien-4-ol
CID 12186232
(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
CID 10242290
(S)-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)but-3-en-1-ol
CID 10398274
(1R,2R)-2-methyl-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)but-3-en-1-ol
CID 10513443
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 11275459
1,2-Dideoxy-2-ethenyl-4,5-O-(1-methylethylidene)-D-erythro-pentitol
CID 11321379
(1S,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 11435376
(2S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-2-ol
CID 11499581
1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-2-ol
CID 11715571

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol?
The IUPAC name of (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol (CID 10944544) is (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol.
What is the SMILES notation for (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol?
The canonical SMILES for (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol is C=CCC[C@H](O)[C@@]1(C)COC2(CCCCC2)O1.
What is the InChIKey of (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol?
The InChIKey is ODYZAIZZODVAKS-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-4-8-12(15)13(2)11-16-14(17-13)9-6-5-7-10-14/h3,12,15H,1,4-11H2,2H3/t12-,13+/m0/s1.
What are the key properties of (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol?
(1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R)-3-methyl-1,4-dioxaspiro[4.5]decan-3-yl]pent-4-en-1-ol is sourced from PubChem (CID 10944544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).