(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane

C9H16O — CID 177186735

IUPAC(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane
SMILESC/C=C\[C@@H]1CCOC1(C)C
InChIInChI=1S/C9H16O/c1-4-5-8-6-7-10-9(8,2)3/h4-5,8H,6-7H2,1-3H3/b5-4-/t8-/m1/s1
InChIKeyHKIUQFBJSNTWKP-PULIVWKDSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds1

About (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane

(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane (PubChem CID 177186735) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane
PubChem CID177186735
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane
SMILESC/C=C\[C@@H]1CCOC1(C)C
InChIInChI=1S/C9H16O/c1-4-5-8-6-7-10-9(8,2)3/h4-5,8H,6-7H2,1-3H3/b5-4-/t8-/m1/s1
InChIKeyHKIUQFBJSNTWKP-PULIVWKDSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane?
The IUPAC name of (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane (CID 177186735) is (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane.
What is the SMILES notation for (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane?
The canonical SMILES for (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane is C/C=C\[C@@H]1CCOC1(C)C.
What is the InChIKey of (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane?
The InChIKey is HKIUQFBJSNTWKP-PULIVWKDSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-8-6-7-10-9(8,2)3/h4-5,8H,6-7H2,1-3H3/b5-4-/t8-/m1/s1.
What are the key properties of (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane?
(3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-3-[(Z)-prop-1-enyl]oxolane is sourced from PubChem (CID 177186735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).