(1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]

C17H28O2 — CID 134916883

IUPAC(1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]
SMILESCC(C)C1C[C@@H]2[C@]3(C)C[C@H]1C[C@@]2(C)C1(C3)OCCO1
InChIInChI=1S/C17H28O2/c1-11(2)13-7-14-15(3)8-12(13)9-16(14,4)17(10-15)18-5-6-19-17/h11-14H,5-10H2,1-4H3/t12-,13?,14+,15+,16+/m0/s1
InChIKeyPQOLNQVHJGVHAY-CBRBMDMFSA-N
MW264.41 g/mol
LogP3.85
Rot. Bonds1

About (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]

(1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane] (PubChem CID 134916883) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane].

Molecular Properties

Compound Name(1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]
PubChem CID134916883
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]
SMILESCC(C)C1C[C@@H]2[C@]3(C)C[C@H]1C[C@@]2(C)C1(C3)OCCO1
InChIInChI=1S/C17H28O2/c1-11(2)13-7-14-15(3)8-12(13)9-16(14,4)17(10-15)18-5-6-19-17/h11-14H,5-10H2,1-4H3/t12-,13?,14+,15+,16+/m0/s1
InChIKeyPQOLNQVHJGVHAY-CBRBMDMFSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]?
The IUPAC name of (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane] (CID 134916883) is (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane].
What is the SMILES notation for (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]?
The canonical SMILES for (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane] is CC(C)C1C[C@@H]2[C@]3(C)C[C@H]1C[C@@]2(C)C1(C3)OCCO1.
What is the InChIKey of (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]?
The InChIKey is PQOLNQVHJGVHAY-CBRBMDMFSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(2)13-7-14-15(3)8-12(13)9-16(14,4)17(10-15)18-5-6-19-17/h11-14H,5-10H2,1-4H3/t12-,13?,14+,15+,16+/m0/s1.
What are the key properties of (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane]?
(1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane] has a molecular weight of 264.41 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3'R,6'R,7'R)-3',6'-dimethyl-9'-propan-2-ylspiro[1,3-dioxolane-2,4'-tricyclo[4.3.1.03,7]decane] is sourced from PubChem (CID 134916883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).