2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane

C15H26O2 — CID 134860311

IUPAC2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane
SMILESC=CC[C@H]1C(C)(C)CCC[C@]1(C)C1OCCO1
InChIInChI=1S/C15H26O2/c1-5-7-12-14(2,3)8-6-9-15(12,4)13-16-10-11-17-13/h5,12-13H,1,6-11H2,2-4H3/t12-,15-/m0/s1
InChIKeyQSOFLCSLHOOIOM-WFASDCNBSA-N
MW238.37 g/mol
LogP3.77
Rot. Bonds3

About 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane

2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane (PubChem CID 134860311) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane
PubChem CID134860311
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane
SMILESC=CC[C@H]1C(C)(C)CCC[C@]1(C)C1OCCO1
InChIInChI=1S/C15H26O2/c1-5-7-12-14(2,3)8-6-9-15(12,4)13-16-10-11-17-13/h5,12-13H,1,6-11H2,2-4H3/t12-,15-/m0/s1
InChIKeyQSOFLCSLHOOIOM-WFASDCNBSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.77
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 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane?
The IUPAC name of 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane (CID 134860311) is 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane?
The canonical SMILES for 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane is C=CC[C@H]1C(C)(C)CCC[C@]1(C)C1OCCO1.
What is the InChIKey of 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane?
The InChIKey is QSOFLCSLHOOIOM-WFASDCNBSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-7-12-14(2,3)8-6-9-15(12,4)13-16-10-11-17-13/h5,12-13H,1,6-11H2,2-4H3/t12-,15-/m0/s1.
What are the key properties of 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane?
2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane is sourced from PubChem (CID 134860311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).