5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

Name: 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄O — CID 118242692

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

IUPAC5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

SMILESCCC(C)C1C=CC(OC(C)(C)C)=CC1

InChIInChI=1S/C14H24O/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h7,9-12H,6,8H2,1-5H3

InChIKeyGTJZOWHRWQAHAO-UHFFFAOYSA-N

MW208.34 g/mol

LogP4.31

Rot. Bonds3

About 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene (PubChem CID 118242692) has the molecular formula C₁₄H₂₄O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name	5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
PubChem CID	118242692
Molecular Formula	C₁₄H₂₄O
Molecular Weight	208.34 g/mol
Exact Mass	208.18
IUPAC Name	5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
SMILES	CCC(C)C1C=CC(OC(C)(C)C)=CC1
InChI	InChI=1S/C14H24O/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h7,9-12H,6,8H2,1-5H3
InChIKey	GTJZOWHRWQAHAO-UHFFFAOYSA-N
XLogP	4.31
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.34
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?

The IUPAC name of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene (CID 118242692) is 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene.

What is the SMILES notation for 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?

The canonical SMILES for 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene is CCC(C)C1C=CC(OC(C)(C)C)=CC1.

What is the InChIKey of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?

The InChIKey is GTJZOWHRWQAHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5/h7,9-12H,6,8H2,1-5H3.

What are the key properties of 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?

5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene is sourced from PubChem (CID 118242692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118242692 — identifiers, structure, computed properties (public domain)

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