1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane

C34H68 — CID 158656584

IUPAC1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C14H24.C12H26.C8H18/c1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-10(2,3)9-12(7,8)11(4,5)6;1-7(2,3)8(4,5)6/h10-12H,4-9H2,1-3H3;9H2,1-8H3;1-6H3
InChIKeyICFFFFRRGMQWOK-UHFFFAOYSA-N
MW476.92 g/mol
LogP11.82
Rot. Bonds1

About 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane

1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane (PubChem CID 158656584) has the molecular formula C34H68 and a molecular weight of 476.92 g/mol. Its IUPAC name is 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane
PubChem CID158656584
Molecular FormulaC34H68
Molecular Weight476.92 g/mol
Exact Mass476.53
IUPAC Name1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C14H24.C12H26.C8H18/c1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-10(2,3)9-12(7,8)11(4,5)6;1-7(2,3)8(4,5)6/h10-12H,4-9H2,1-3H3;9H2,1-8H3;1-6H3
InChIKeyICFFFFRRGMQWOK-UHFFFAOYSA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-adamantyl)butan-2-ylphosphane
CID 166806637
acetic acid;1-tert-butyladamantane
CID 66772325
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
1-[1-(1-adamantyl)-1-iodobutyl]adamantane
CID 87620474
1-tert-butyladamantane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1-deuteriocyclopentane;2-deuterio-2,3,3-trimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;1,1,1-trideuterio-2,2-dimethylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane
CID 161459632
2-(1-adamantyl)-N-methylpropan-2-amine
CID 3010141
3-(1-adamantyl)butane-1,3-diol
CID 2802841
3-(1-adamantyl)pentan-3-ol
CID 3916017
1-tert-butylbicyclo[1.1.1]pentane;(1R,2R,5R)-2,5-dimethylcyclohexan-1-ol;2,2,3,3-tetramethylbutane
CID 157064714
2-(1-adamantyl)-3-ethylpentan-2-ol
CID 18323328
1'-tert-butylspiro[1,3-dioxolane-2,4'-adamantane]
CID 13075074
1-adamantyl 2-tert-butyl-2-chloro-4,4-dimethylpentanoate
CID 139519763

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane?
The IUPAC name of 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane (CID 158656584) is 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane.
What is the SMILES notation for 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane?
The canonical SMILES for 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane?
The InChIKey is ICFFFFRRGMQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24.C12H26.C8H18/c1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-10(2,3)9-12(7,8)11(4,5)6;1-7(2,3)8(4,5)6/h10-12H,4-9H2,1-3H3;9H2,1-8H3;1-6H3.
What are the key properties of 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane?
1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane has a molecular weight of 476.92 g/mol, XLogP of 11.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyladamantane;2,2,3,3,5,5-hexamethylhexane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158656584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).