5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane

Name: 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₃₂ — CID 123932635

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane

SMILESCCCCC(C)C1CC12CC2CCC(C)(C)C

InChIInChI=1S/C17H32/c1-6-7-8-13(2)15-12-17(15)11-14(17)9-10-16(3,4)5/h13-15H,6-12H2,1-5H3

InChIKeyIYHCUIFFVKDQCM-UHFFFAOYSA-N

MW236.44 g/mol

LogP5.67

Rot. Bonds6

About 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane

5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane (PubChem CID 123932635) has the molecular formula C₁₇H₃₂ and a molecular weight of 236.44 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane.

Molecular Properties

Compound Name	5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane
PubChem CID	123932635
Molecular Formula	C₁₇H₃₂
Molecular Weight	236.44 g/mol
Exact Mass	236.25
IUPAC Name	5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane
SMILES	CCCCC(C)C1CC12CC2CCC(C)(C)C
InChI	InChI=1S/C17H32/c1-6-7-8-13(2)15-12-17(15)11-14(17)9-10-16(3,4)5/h13-15H,6-12H2,1-5H3
InChIKey	IYHCUIFFVKDQCM-UHFFFAOYSA-N
XLogP	5.67
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	6
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	236.44
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?

The IUPAC name of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane (CID 123932635) is 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane.

What is the SMILES notation for 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?

The canonical SMILES for 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane is CCCCC(C)C1CC12CC2CCC(C)(C)C.

What is the InChIKey of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?

The InChIKey is IYHCUIFFVKDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-7-8-13(2)15-12-17(15)11-14(17)9-10-16(3,4)5/h13-15H,6-12H2,1-5H3.

What are the key properties of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?

5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane has a molecular weight of 236.44 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane is sourced from PubChem (CID 123932635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123932635 — identifiers, structure, computed properties (public domain)

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