(1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol

C20H30O2 — CID 169116084

IUPAC(1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C(O[C@H]2C=C(C)CC[C@H]2C(=C)C)CC(C)=C[C@H]1O
InChIInChI=1S/C20H30O2/c1-12(2)16-8-7-14(5)10-18(16)22-19-11-15(6)9-17(21)20(19)13(3)4/h9-10,16-21H,1,3,7-8,11H2,2,4-6H3/t16-,17+,18-,19?,20-/m0/s1
InChIKeyGIUFWWFKNOTQFI-PWZRSLRQSA-N
MW302.46 g/mol
LogP4.58
Rot. Bonds4

About (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol

(1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 169116084) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID169116084
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C(O[C@H]2C=C(C)CC[C@H]2C(=C)C)CC(C)=C[C@H]1O
InChIInChI=1S/C20H30O2/c1-12(2)16-8-7-14(5)10-18(16)22-19-11-15(6)9-17(21)20(19)13(3)4/h9-10,16-21H,1,3,7-8,11H2,2,4-6H3/t16-,17+,18-,19?,20-/m0/s1
InChIKeyGIUFWWFKNOTQFI-PWZRSLRQSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 169116084) is (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1C(O[C@H]2C=C(C)CC[C@H]2C(=C)C)CC(C)=C[C@H]1O.
What is the InChIKey of (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is GIUFWWFKNOTQFI-PWZRSLRQSA-N. The full InChI is InChI=1S/C20H30O2/c1-12(2)16-8-7-14(5)10-18(16)22-19-11-15(6)9-17(21)20(19)13(3)4/h9-10,16-21H,1,3,7-8,11H2,2,4-6H3/t16-,17+,18-,19?,20-/m0/s1.
What are the key properties of (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 302.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3-methyl-5-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-6-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 169116084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).