(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol

C13H24O — CID 67125700

IUPAC(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol
SMILESCC[C@H](C)[C@@H](O)C1(CC=C(C)C)CC1
InChIInChI=1S/C13H24O/c1-5-11(4)12(14)13(8-9-13)7-6-10(2)3/h6,11-12,14H,5,7-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyKCNIGFLDDYXJLY-NWDGAFQWSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds5

About (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol

(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol (PubChem CID 67125700) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol
PubChem CID67125700
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol
SMILESCC[C@H](C)[C@@H](O)C1(CC=C(C)C)CC1
InChIInChI=1S/C13H24O/c1-5-11(4)12(14)13(8-9-13)7-6-10(2)3/h6,11-12,14H,5,7-9H2,1-4H3/t11-,12+/m0/s1
InChIKeyKCNIGFLDDYXJLY-NWDGAFQWSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
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 (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol?
The IUPAC name of (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol (CID 67125700) is (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol.
What is the SMILES notation for (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol?
The canonical SMILES for (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol is CC[C@H](C)[C@@H](O)C1(CC=C(C)C)CC1.
What is the InChIKey of (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol?
The InChIKey is KCNIGFLDDYXJLY-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24O/c1-5-11(4)12(14)13(8-9-13)7-6-10(2)3/h6,11-12,14H,5,7-9H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol?
(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol is sourced from PubChem (CID 67125700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).