(1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol

C18H28O — CID 11322934

IUPAC(1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol
SMILESCC1=CC[C@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=C(C)C
InChIInChI=1S/C18H28O/c1-11(2)13-10-17(6)14-9-15(13)16(4,5)18(17,19)8-7-12(14)3/h7,14-15,19H,8-10H2,1-6H3/t14-,15-,17-,18-/m0/s1
InChIKeyRXIRUVVMSANXBZ-LAQRGFTBSA-N
MW260.42 g/mol
LogP4.48
Rot. Bonds

About (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol

(1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol (PubChem CID 11322934) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol.

Molecular Properties

Compound Name(1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol
PubChem CID11322934
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol
SMILESCC1=CC[C@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=C(C)C
InChIInChI=1S/C18H28O/c1-11(2)13-10-17(6)14-9-15(13)16(4,5)18(17,19)8-7-12(14)3/h7,14-15,19H,8-10H2,1-6H3/t14-,15-,17-,18-/m0/s1
InChIKeyRXIRUVVMSANXBZ-LAQRGFTBSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.48
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 (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol?
The IUPAC name of (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol (CID 11322934) is (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol.
What is the SMILES notation for (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol?
The canonical SMILES for (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol is CC1=CC[C@]2(O)C(C)(C)[C@H]3C[C@@H]1[C@]2(C)CC3=C(C)C.
What is the InChIKey of (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol?
The InChIKey is RXIRUVVMSANXBZ-LAQRGFTBSA-N. The full InChI is InChI=1S/C18H28O/c1-11(2)13-10-17(6)14-9-15(13)16(4,5)18(17,19)8-7-12(14)3/h7,14-15,19H,8-10H2,1-6H3/t14-,15-,17-,18-/m0/s1.
What are the key properties of (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol?
(1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol has a molecular weight of 260.42 g/mol, XLogP of 4.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,7S,8S)-2,2,6,8-tetramethyl-10-propan-2-ylidenetricyclo[5.3.1.03,8]undec-5-en-3-ol is sourced from PubChem (CID 11322934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).