2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane

C18H28O2 — CID 134982266

IUPAC2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane
SMILESC=CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C1OCCO1
InChIInChI=1S/C18H28O2/c1-5-13-7-8-14-17(2,3)9-6-10-18(14,4)15(13)16-19-11-12-20-16/h5,7,14-16H,1,6,8-12H2,2-4H3/t14-,15+,18-/m0/s1
InChIKeyWMNYNXOBVWQVPT-DAYGRLMNSA-N
MW276.42 g/mol
LogP4.32
Rot. Bonds2

About 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane

2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane (PubChem CID 134982266) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane
PubChem CID134982266
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane
SMILESC=CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C1OCCO1
InChIInChI=1S/C18H28O2/c1-5-13-7-8-14-17(2,3)9-6-10-18(14,4)15(13)16-19-11-12-20-16/h5,7,14-16H,1,6,8-12H2,2-4H3/t14-,15+,18-/m0/s1
InChIKeyWMNYNXOBVWQVPT-DAYGRLMNSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane?
The IUPAC name of 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane (CID 134982266) is 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane?
The canonical SMILES for 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane is C=CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C1OCCO1.
What is the InChIKey of 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane?
The InChIKey is WMNYNXOBVWQVPT-DAYGRLMNSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-13-7-8-14-17(2,3)9-6-10-18(14,4)15(13)16-19-11-12-20-16/h5,7,14-16H,1,6,8-12H2,2-4H3/t14-,15+,18-/m0/s1.
What are the key properties of 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane?
2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane has a molecular weight of 276.42 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane is sourced from PubChem (CID 134982266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).