(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol

C14H24O — CID 57155773

IUPAC(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol
SMILESC=C(C[C@H](C)CO)[C@H]1CC=C(C)C1(C)C
InChIInChI=1S/C14H24O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13,15H,2,7-9H2,1,3-5H3/t10-,13+/m0/s1
InChIKeyDGHXZJZALPECTJ-GXFFZTMASA-N
MW208.34 g/mol
LogP3.55
Rot. Bonds4

About (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol

(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol (PubChem CID 57155773) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol
PubChem CID57155773
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol
SMILESC=C(C[C@H](C)CO)[C@H]1CC=C(C)C1(C)C
InChIInChI=1S/C14H24O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13,15H,2,7-9H2,1,3-5H3/t10-,13+/m0/s1
InChIKeyDGHXZJZALPECTJ-GXFFZTMASA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol?
The IUPAC name of (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol (CID 57155773) is (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol.
What is the SMILES notation for (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol?
The canonical SMILES for (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol is C=C(C[C@H](C)CO)[C@H]1CC=C(C)C1(C)C.
What is the InChIKey of (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol?
The InChIKey is DGHXZJZALPECTJ-GXFFZTMASA-N. The full InChI is InChI=1S/C14H24O/c1-10(9-15)8-11(2)13-7-6-12(3)14(13,4)5/h6,10,13,15H,2,7-9H2,1,3-5H3/t10-,13+/m0/s1.
What are the key properties of (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol?
(2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]pent-4-en-1-ol is sourced from PubChem (CID 57155773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).