(3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene

C20H34 — CID 15867300

IUPAC(3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene
SMILESCC(C)[C@@H]1CC[C@@H](C)C=C1C1=C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H34/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h11-18H,7-10H2,1-6H3/t15-,16-,17+,18+/m1/s1
InChIKeyPTPMYRGYPGAKSA-BDXSIMOUSA-N
MW274.49 g/mol
LogP6.24
Rot. Bonds3

About (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene

(3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene (PubChem CID 15867300) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene
PubChem CID15867300
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name(3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene
SMILESCC(C)[C@@H]1CC[C@@H](C)C=C1C1=C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H34/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h11-18H,7-10H2,1-6H3/t15-,16-,17+,18+/m1/s1
InChIKeyPTPMYRGYPGAKSA-BDXSIMOUSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Beta-Carotene
CID 5280489
Alpha-Terpinene
CID 7462
Beta-Phellandrene
CID 11142
beta-Cadinene
CID 10657
Alpha-Carotene
CID 6419725
delta-Cadinene
CID 441005
Alpha-muurolene, (-)-
CID 12306047
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Camphorene
CID 101750
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
p-Menth-1-ene
CID 21671

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene?
The IUPAC name of (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene (CID 15867300) is (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene.
What is the SMILES notation for (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene?
The canonical SMILES for (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene is CC(C)[C@@H]1CC[C@@H](C)C=C1C1=C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene?
The InChIKey is PTPMYRGYPGAKSA-BDXSIMOUSA-N. The full InChI is InChI=1S/C20H34/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h11-18H,7-10H2,1-6H3/t15-,16-,17+,18+/m1/s1.
What are the key properties of (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene?
(3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene has a molecular weight of 274.49 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-methyl-1-[(3R,6S)-3-methyl-6-propan-2-ylcyclohexen-1-yl]-6-propan-2-ylcyclohexene is sourced from PubChem (CID 15867300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).