(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol

C15H26O — CID 10082297

IUPAC(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)=CCC[C@]1(C)[C@H]2CC[C@H](C2)[C@]1(C)O
InChIInChI=1S/C15H26O/c1-11(2)6-5-9-14(3)12-7-8-13(10-12)15(14,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,14+,15-/m0/s1
InChIKeyBMYYECWIIFVCQD-YJNKXOJESA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds3

About (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol

(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 10082297) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID10082297
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC(C)=CCC[C@]1(C)[C@H]2CC[C@H](C2)[C@]1(C)O
InChIInChI=1S/C15H26O/c1-11(2)6-5-9-14(3)12-7-8-13(10-12)15(14,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,14+,15-/m0/s1
InChIKeyBMYYECWIIFVCQD-YJNKXOJESA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

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CID 20055539
(-)-Pacifigorgiol
CID 73828281
cis-Sesquisabinene hydrate
CID 91666343
4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydrodimethyl-
CID 174183
Ophiobolin F
CID 46173837
(-)-alpha-Acorenol
CID 101306697
1,7-Dimethyl-7-(4-methylpent-3-enyl)bicyclo(2.2.1)heptan-2-ol
CID 5315645
trans-Sesquisabinene hydrate
CID 6428444
2-(1,8-Dimethylspiro[4.5]dec-8-en-4-yl)propan-2-ol
CID 14105905
(2R,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo(3.1.0)hexan-2-ol
CID 6428435
2,3-Dimethyl-3-(4-methyl-3-pentenyl)-2-norbornanol
CID 6429259
Alpha-acorenol
CID 11972555

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol (CID 10082297) is (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol is CC(C)=CCC[C@]1(C)[C@H]2CC[C@H](C2)[C@]1(C)O.
What is the InChIKey of (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is BMYYECWIIFVCQD-YJNKXOJESA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)6-5-9-14(3)12-7-8-13(10-12)15(14,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,14+,15-/m0/s1.
What are the key properties of (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 10082297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).