(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane

C10H18O2 — CID 134944172

IUPAC(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane
SMILESC=C[C@@H](CC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-8(6-2)9-7-11-10(3,4)12-9/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyPSGMOHCLVLPWIZ-DTWKUNHWSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane (PubChem CID 134944172) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane
PubChem CID134944172
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane
SMILESC=C[C@@H](CC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-8(6-2)9-7-11-10(3,4)12-9/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyPSGMOHCLVLPWIZ-DTWKUNHWSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane (CID 134944172) is (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane is C=C[C@@H](CC)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane?
The InChIKey is PSGMOHCLVLPWIZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(6-2)9-7-11-10(3,4)12-9/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(3R)-pent-1-en-3-yl]-1,3-dioxolane is sourced from PubChem (CID 134944172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).