6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane

C17H32 — CID 90697710

IUPAC6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane
SMILESCCCC(CC)C1CC2(CC(C(C)CC)C2)C1
InChIInChI=1S/C17H32/c1-5-8-14(7-3)16-11-17(12-16)9-15(10-17)13(4)6-2/h13-16H,5-12H2,1-4H3
InChIKeyQQIGVYXHWJEFSO-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.67
Rot. Bonds6

About 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane

6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane (PubChem CID 90697710) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane.

Molecular Properties

Compound Name6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane
PubChem CID90697710
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane
SMILESCCCC(CC)C1CC2(CC(C(C)CC)C2)C1
InChIInChI=1S/C17H32/c1-5-8-14(7-3)16-11-17(12-16)9-15(10-17)13(4)6-2/h13-16H,5-12H2,1-4H3
InChIKeyQQIGVYXHWJEFSO-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-hexan-3-yloxane
CID 118974929
2-(4-methyl-5-propyloctan-2-yl)spiro[3.3]heptane
CID 142520619
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
2-(4-butan-2-ylpiperidin-1-yl)-4-(4-hexan-3-ylpiperidin-1-yl)-6-(4-octan-4-ylpiperidin-1-yl)-1,3,5-triazine
CID 139435709
3-[(3R)-hexan-3-yl]bicyclo[3.3.1]nonane
CID 123239520
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
3-butan-2-yl-1,5,9-trioxaspiro[5.5]undecane
CID 70895234
15-heptan-4-yl-7-hydroxy-3,11-dioxa-7-azadispiro[5.1.58.36]hexadecane
CID 137401916
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677
1-butyl-4-(2-decan-4-ylspiro[3.3]heptan-6-yl)piperidine
CID 166678630
7-butan-2-yl-4-oxaspiro[2.5]octane
CID 170965398

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane?
The IUPAC name of 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane (CID 90697710) is 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane.
What is the SMILES notation for 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane?
The canonical SMILES for 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane is CCCC(CC)C1CC2(CC(C(C)CC)C2)C1.
What is the InChIKey of 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane?
The InChIKey is QQIGVYXHWJEFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-5-8-14(7-3)16-11-17(12-16)9-15(10-17)13(4)6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane?
6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane 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 6-butan-2-yl-2-hexan-3-ylspiro[3.3]heptane is sourced from PubChem (CID 90697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).