(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene

C11H18 — CID 142008819

IUPAC(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
SMILESCCC(C)C1=CC=CC[C@H]1C
InChIInChI=1S/C11H18/c1-4-9(2)11-8-6-5-7-10(11)3/h5-6,8-10H,4,7H2,1-3H3/t9?,10-/m1/s1
InChIKeyIKGVGRRCHBFMDF-QVDQXJPCSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds2

About (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene

(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene (PubChem CID 142008819) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
PubChem CID142008819
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
SMILESCCC(C)C1=CC=CC[C@H]1C
InChIInChI=1S/C11H18/c1-4-9(2)11-8-6-5-7-10(11)3/h5-6,8-10H,4,7H2,1-3H3/t9?,10-/m1/s1
InChIKeyIKGVGRRCHBFMDF-QVDQXJPCSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
CID 142113855
2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 142113831
methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
CID 143459698
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
(2R)-2-[ethyl(methyl)amino]-2-(6-methylcyclohexa-1,3-dien-1-yl)acetic acid
CID 163469662
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 169222897
4-[(2S)-2-amino-2-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]benzonitrile
CID 118675235
(Z,2R)-7-fluoro-2-methyl-5-[(3R)-5-[(3R)-6-(6-methylcyclohexa-1,3-dien-1-yl)heptan-3-yl]-2,3-dihydro-1,2,4-oxadiazol-3-yl]hept-3-enoic acid
CID 163866690

Frequently Asked Questions

What is the IUPAC name of (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene (CID 142008819) is (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene is CCC(C)C1=CC=CC[C@H]1C.
What is the InChIKey of (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene?
The InChIKey is IKGVGRRCHBFMDF-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H18/c1-4-9(2)11-8-6-5-7-10(11)3/h5-6,8-10H,4,7H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene?
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142008819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).