(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

C15H22O3 — CID 162928689

IUPAC(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SMILESC/C1=C/[C@@H](O)C(C)(C)/C=C\C(=O)/C(C)=C\[C@@H](O)C1
InChIInChI=1S/C15H22O3/c1-10-7-12(16)9-11(2)13(17)5-6-15(3,4)14(18)8-10/h5-6,8-9,12,14,16,18H,7H2,1-4H3/b6-5-,10-8-,11-9-/t12-,14+/m0/s1
InChIKeyPVVLNRSGNUTYNS-MNEAYSBKSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds

About (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one

(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one (PubChem CID 162928689) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one.

Molecular Properties

Compound Name(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
PubChem CID162928689
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
SMILESC/C1=C/[C@@H](O)C(C)(C)/C=C\C(=O)/C(C)=C\[C@@H](O)C1
InChIInChI=1S/C15H22O3/c1-10-7-12(16)9-11(2)13(17)5-6-15(3,4)14(18)8-10/h5-6,8-9,12,14,16,18H,7H2,1-4H3/b6-5-,10-8-,11-9-/t12-,14+/m0/s1
InChIKeyPVVLNRSGNUTYNS-MNEAYSBKSA-N
XLogP2.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one with MolForge

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Related Compounds

8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 73238363
(2E,6E,8R,10E)-8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 139584287
(1S,3R,4Z,7Z,11R)-3-hydroxy-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dien-6-one
CID 162985160
(1R,4E,7E,10S,11R)-10-hydroxy-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dien-6-one
CID 15939725
4-hydroxy-2-methylcyclohexa-2,5-dien-1-one
CID 130029355
(4Z,7Z,10R)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
CID 38362320
1,4a,5,7-tetramethyl-1,5,8,8a-tetrahydronaphthalen-2-one
CID 23102998
4,5-dihydroxy-2,5-dimethylcyclohex-2-en-1-one
CID 162851576
(4S,5S)-4,5-dihydroxy-2,5-dimethylcyclohex-2-en-1-one
CID 139586018
3-methyl-5-methylidenecyclohex-2-en-1-ol
CID 89206021
(4S)-4-hydroxy-2-methylcyclohex-2-en-1-one
CID 131106116
5-hydroxy-2,4,4-trimethylcyclopent-2-en-1-one
CID 130037543

Frequently Asked Questions

What is the IUPAC name of (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The IUPAC name of (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one (CID 162928689) is (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one.
What is the SMILES notation for (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The canonical SMILES for (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one is C/C1=C/[C@@H](O)C(C)(C)/C=C\C(=O)/C(C)=C\[C@@H](O)C1.
What is the InChIKey of (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
The InChIKey is PVVLNRSGNUTYNS-MNEAYSBKSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-7-12(16)9-11(2)13(17)5-6-15(3,4)14(18)8-10/h5-6,8-9,12,14,16,18H,7H2,1-4H3/b6-5-,10-8-,11-9-/t12-,14+/m0/s1.
What are the key properties of (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one?
(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one is sourced from PubChem (CID 162928689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).