(1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol

C15H22O3 — CID 71609160

IUPAC(1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol
SMILESCC1(C)CCC[C@]23[C@@H]4C(=CC[C@@H]12)CO[C@@H]4O[C@@H]3O
InChIInChI=1S/C15H22O3/c1-14(2)6-3-7-15-10(14)5-4-9-8-17-12(11(9)15)18-13(15)16/h4,10-13,16H,3,5-8H2,1-2H3/t10-,11+,12+,13-,15+/m0/s1
InChIKeyLPSWGKHKBFIVLU-IHWVXMPCSA-N
MW250.34 g/mol
LogP2.45
Rot. Bonds

About (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol

(1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol (PubChem CID 71609160) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol.

Molecular Properties

Compound Name(1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol
PubChem CID71609160
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol
SMILESCC1(C)CCC[C@]23[C@@H]4C(=CC[C@@H]12)CO[C@@H]4O[C@@H]3O
InChIInChI=1S/C15H22O3/c1-14(2)6-3-7-15-10(14)5-4-9-8-17-12(11(9)15)18-13(15)16/h4,10-13,16H,3,5-8H2,1-2H3/t10-,11+,12+,13-,15+/m0/s1
InChIKeyLPSWGKHKBFIVLU-IHWVXMPCSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol with MolForge

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Related Compounds

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CID 14433050
2H,9H-Benzo(e)furo(2,3,4-cd)isobenzofuran-6,9-diol, 4,4a,5,6,7,8,10a,10b-octahydro-5,5-dimethyl-
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Isodrimeninol
CID 11322321
15-Hydroxymarasmen-3-one
CID 14433056
1alpha,15-Dihydroxymarasmene
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Dendocarbin C
CID 10857966
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CID 11522458
(1R,3S,5S,5aS,7S,9R,9aS,9bR)-1,3,5-trimethoxy-7,9a-dimethyl-6-methylidene-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-9-ol
CID 11551567
2alpha-Hydroxydrimeninol
CID 10777212
1,3-Dimethoxy-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran
CID 14241015

Frequently Asked Questions

What is the IUPAC name of (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol?
The IUPAC name of (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol (CID 71609160) is (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol.
What is the SMILES notation for (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol?
The canonical SMILES for (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol is CC1(C)CCC[C@]23[C@@H]4C(=CC[C@@H]12)CO[C@@H]4O[C@@H]3O.
What is the InChIKey of (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol?
The InChIKey is LPSWGKHKBFIVLU-IHWVXMPCSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)6-3-7-15-10(14)5-4-9-8-17-12(11(9)15)18-13(15)16/h4,10-13,16H,3,5-8H2,1-2H3/t10-,11+,12+,13-,15+/m0/s1.
What are the key properties of (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol?
(1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol has a molecular weight of 250.34 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,12R,14S,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-ol is sourced from PubChem (CID 71609160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).